4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

C15H16N6 — CID 135294650

IUPAC4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cc(-c2ccnc(Nc3cn[nH]c3)n2)ccc1CN
InChIInChI=1S/C15H16N6/c1-10-6-11(2-3-12(10)7-16)14-4-5-17-15(21-14)20-13-8-18-19-9-13/h2-6,8-9H,7,16H2,1H3,(H,18,19)(H,17,20,21)
InChIKeyZAKMZIRKHINWRK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.38
Rot. Bonds4

About 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 135294650) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID135294650
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cc(-c2ccnc(Nc3cn[nH]c3)n2)ccc1CN
InChIInChI=1S/C15H16N6/c1-10-6-11(2-3-12(10)7-16)14-4-5-17-15(21-14)20-13-8-18-19-9-13/h2-6,8-9H,7,16H2,1H3,(H,18,19)(H,17,20,21)
InChIKeyZAKMZIRKHINWRK-UHFFFAOYSA-N
XLogP2.38
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenyl]propan-1-one
CID 157087381
2-tert-butyl-N-[[2-methyl-4-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 118139811
(E)-2-N-[4-[4-(aminomethyl)-3-methylphenyl]pyrimidin-2-yl]-3-methyliminoprop-1-ene-1,2-diamine
CID 144863361
[4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methylazanium
CID 163700476
4-[4-[(chloroamino)methyl]-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 122650813
[4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine
CID 123828026
2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol
CID 118139758
[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine
CID 95915885
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]propan-1-one
CID 158018205
1-(1-bicyclo[2.2.2]octanyl)-3-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]urea
CID 118139529
2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol
CID 141335854
N-[[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide
CID 159502180

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (CID 135294650) is 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is Cc1cc(-c2ccnc(Nc3cn[nH]c3)n2)ccc1CN.
What is the InChIKey of 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is ZAKMZIRKHINWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-10-6-11(2-3-12(10)7-16)14-4-5-17-15(21-14)20-13-8-18-19-9-13/h2-6,8-9H,7,16H2,1H3,(H,18,19)(H,17,20,21).
What are the key properties of 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3-methylphenyl]-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 135294650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).