6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine

C16H19ClN4 — CID 55570136

IUPAC6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCC2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C16H19ClN4/c17-13-10-14(21-15(18)20-13)19-11-16(8-4-5-9-16)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H3,18,19,20,21)
InChIKeyWAJBGADVHIPCHI-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.64
Rot. Bonds4

About 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine (PubChem CID 55570136) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine
PubChem CID55570136
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCC2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C16H19ClN4/c17-13-10-14(21-15(18)20-13)19-11-16(8-4-5-9-16)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H3,18,19,20,21)
InChIKeyWAJBGADVHIPCHI-UHFFFAOYSA-N
XLogP3.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 78952257
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine
CID 88594326
1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133357961
6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 133353479
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 31537803
6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71996201
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80734968

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine (CID 55570136) is 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCC2(c3ccccc3)CCCC2)n1.
What is the InChIKey of 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WAJBGADVHIPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-13-10-14(21-15(18)20-13)19-11-16(8-4-5-9-16)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H3,18,19,20,21).
What are the key properties of 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 302.81 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 55570136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).