N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine

C20H29N5 — CID 156845858

IUPACN-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine
SMILESCc1nc(N2CCC(C(C)C)CC2)ncc1Nc1ccc(CN)cc1
InChIInChI=1S/C20H29N5/c1-14(2)17-8-10-25(11-9-17)20-22-13-19(15(3)23-20)24-18-6-4-16(12-21)5-7-18/h4-7,13-14,17,24H,8-12,21H2,1-3H3
InChIKeyOKJYJFNYUMCFMU-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.86
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine

N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 156845858) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID156845858
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine
SMILESCc1nc(N2CCC(C(C)C)CC2)ncc1Nc1ccc(CN)cc1
InChIInChI=1S/C20H29N5/c1-14(2)17-8-10-25(11-9-17)20-22-13-19(15(3)23-20)24-18-6-4-16(12-21)5-7-18/h4-7,13-14,17,24H,8-12,21H2,1-3H3
InChIKeyOKJYJFNYUMCFMU-UHFFFAOYSA-N
XLogP3.86
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

SB-220025
CID 5164
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
Ngd 94-1
CID 188942
VK-19911
CID 9797240
SB-242235
CID 9863367
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
Pik-iii
CID 67983123
N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 137701509
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine (CID 156845858) is N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine is Cc1nc(N2CCC(C(C)C)CC2)ncc1Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is OKJYJFNYUMCFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-14(2)17-8-10-25(11-9-17)20-22-13-19(15(3)23-20)24-18-6-4-16(12-21)5-7-18/h4-7,13-14,17,24H,8-12,21H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine?
N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 339.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 156845858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).