4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine

C23H30N10O — CID 66820105

IUPAC4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESCc1c(-c2cnc(N)nc2)nc(Nc2ccc(N3CCN(C)CC3)nc2)nc1N1CCOCC1
InChIInChI=1S/C23H30N10O/c1-16-20(17-13-26-22(24)27-14-17)29-23(30-21(16)33-9-11-34-12-10-33)28-18-3-4-19(25-15-18)32-7-5-31(2)6-8-32/h3-4,13-15H,5-12H2,1-2H3,(H2,24,26,27)(H,28,29,30)
InChIKeyJAKLVXQAGHEGCK-UHFFFAOYSA-N
MW462.56 g/mol
LogP1.55
Rot. Bonds5

About 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine

4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 66820105) has the molecular formula C23H30N10O and a molecular weight of 462.56 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID66820105
Molecular FormulaC23H30N10O
Molecular Weight462.56 g/mol
Exact Mass462.26
IUPAC Name4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESCc1c(-c2cnc(N)nc2)nc(Nc2ccc(N3CCN(C)CC3)nc2)nc1N1CCOCC1
InChIInChI=1S/C23H30N10O/c1-16-20(17-13-26-22(24)27-14-17)29-23(30-21(16)33-9-11-34-12-10-33)28-18-3-4-19(25-15-18)32-7-5-31(2)6-8-32/h3-4,13-15H,5-12H2,1-2H3,(H2,24,26,27)(H,28,29,30)
InChIKeyJAKLVXQAGHEGCK-UHFFFAOYSA-N
XLogP1.55
TPSA121.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-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

CID 163830124
CID 163830124
8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine
CID 118162915
6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine
CID 154137801
5-(2-aminopyrimidin-5-yl)-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 68647409
4-N-(3,4-dimethylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 162206883
ethyl 5-ethoxy-2-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295483
3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
CID 68758179
6-(4-chloro-3,5-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 66637339
5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143695009
N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 118162922
(E)-N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[3,4-d]pyrimidin-8-yl]phenyl]-2-(dimethylamino)but-2-enamide
CID 140869866
4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
CID 141132498

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine (CID 66820105) is 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine is Cc1c(-c2cnc(N)nc2)nc(Nc2ccc(N3CCN(C)CC3)nc2)nc1N1CCOCC1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is JAKLVXQAGHEGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N10O/c1-16-20(17-13-26-22(24)27-14-17)29-23(30-21(16)33-9-11-34-12-10-33)28-18-3-4-19(25-15-18)32-7-5-31(2)6-8-32/h3-4,13-15H,5-12H2,1-2H3,(H2,24,26,27)(H,28,29,30).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine?
4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 462.56 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 66820105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).