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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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).