4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine

C27H32FN11O — CID 123207639

IUPAC4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine
SMILESCc1c(Nc2ncnc(N3CCN(c4ncc(Cc5ccc(F)cc5)cn4)CC3)n2)cnn1CC1CNCCO1
InChIInChI=1S/C27H32FN11O/c1-19-24(16-34-39(19)17-23-15-29-6-11-40-23)35-25-32-18-33-27(36-25)38-9-7-37(8-10-38)26-30-13-21(14-31-26)12-20-2-4-22(28)5-3-20/h2-5,13-14,16,18,23,29H,6-12,15,17H2,1H3,(H,32,33,35,36)
InChIKeyFHKFKJATSJUGHL-UHFFFAOYSA-N
MW545.63 g/mol
LogP1.96
Rot. Bonds8

About 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine

4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine (PubChem CID 123207639) has the molecular formula C27H32FN11O and a molecular weight of 545.63 g/mol. Its IUPAC name is 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine
PubChem CID123207639
Molecular FormulaC27H32FN11O
Molecular Weight545.63 g/mol
Exact Mass545.28
IUPAC Name4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine
SMILESCc1c(Nc2ncnc(N3CCN(c4ncc(Cc5ccc(F)cc5)cn4)CC3)n2)cnn1CC1CNCCO1
InChIInChI=1S/C27H32FN11O/c1-19-24(16-34-39(19)17-23-15-29-6-11-40-23)35-25-32-18-33-27(36-25)38-9-7-37(8-10-38)26-30-13-21(14-31-26)12-20-2-4-22(28)5-3-20/h2-5,13-14,16,18,23,29H,6-12,15,17H2,1H3,(H,32,33,35,36)
InChIKeyFHKFKJATSJUGHL-UHFFFAOYSA-N
XLogP1.96
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.63
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bay-41-8543
CID 9953906
N-[(2z)-4-(3-Fluoro-5-Morpholin-4-Ylphenyl)pyrimidin-2(1h)-Ylidene]-4-(3-Morpholin-4-Yl-1h-1,2,4-Triazol-1-Yl)aniline
CID 25222038
Vabametkib
CID 73504719
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
US9266891, III-19
CID 90161075
5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11568346
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452
1-(2-ethoxyethyl)-3-ethyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11647832
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035
1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888560
1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl)-N5-(piperidin-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888595
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888597

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine (CID 123207639) is 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine is Cc1c(Nc2ncnc(N3CCN(c4ncc(Cc5ccc(F)cc5)cn4)CC3)n2)cnn1CC1CNCCO1.
What is the InChIKey of 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine?
The InChIKey is FHKFKJATSJUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN11O/c1-19-24(16-34-39(19)17-23-15-29-6-11-40-23)35-25-32-18-33-27(36-25)38-9-7-37(8-10-38)26-30-13-21(14-31-26)12-20-2-4-22(28)5-3-20/h2-5,13-14,16,18,23,29H,6-12,15,17H2,1H3,(H,32,33,35,36).
What are the key properties of 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine?
4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine has a molecular weight of 545.63 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 123207639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).