N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine

C23H26N8 — CID 121347852

IUPACN-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(CN)C4)n3)c2)cn1
InChIInChI=1S/C23H26N8/c1-30-13-18(10-26-30)16-4-3-5-17(8-16)22-25-12-21(19-11-27-31(2)14-19)23(29-22)28-20-6-15(7-20)9-24/h3-5,8,10-15,20H,6-7,9,24H2,1-2H3,(H,25,28,29)
InChIKeyWSVHWKHDOXCPHB-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.09
Rot. Bonds6

About N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine

N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine (PubChem CID 121347852) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
PubChem CID121347852
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC NameN-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(CN)C4)n3)c2)cn1
InChIInChI=1S/C23H26N8/c1-30-13-18(10-26-30)16-4-3-5-17(8-16)22-25-12-21(19-11-27-31(2)14-19)23(29-22)28-20-6-15(7-20)9-24/h3-5,8,10-15,20H,6-7,9,24H2,1-2H3,(H,25,28,29)
InChIKeyWSVHWKHDOXCPHB-UHFFFAOYSA-N
XLogP3.09
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-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

Unc569
CID 53355503
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289350
3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289351
N-[(1R)-1-phenylethyl]-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 76322048
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 149818580
3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289348
3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289349
3-[1-(difluoromethyl)pyrazol-4-yl]-N-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168269074
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 168269263
3-[4-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]propanenitrile
CID 168269968
3-(1-cyclopropylpyrazol-4-yl)-N-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168274814

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine (CID 121347852) is N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(CN)C4)n3)c2)cn1.
What is the InChIKey of N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine?
The InChIKey is WSVHWKHDOXCPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-30-13-18(10-26-30)16-4-3-5-17(8-16)22-25-12-21(19-11-27-31(2)14-19)23(29-22)28-20-6-15(7-20)9-24/h3-5,8,10-15,20H,6-7,9,24H2,1-2H3,(H,25,28,29).
What are the key properties of N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine?
N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine has a molecular weight of 414.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclobutyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 121347852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).