6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine

C15H24ClN3 — CID 106013954

IUPAC6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCCCC2CCCC2)n1
InChIInChI=1S/C15H24ClN3/c1-11(2)15-18-13(16)10-14(19-15)17-9-5-8-12-6-3-4-7-12/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyVXKSFGXOWIGGMH-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.64
Rot. Bonds6

About 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106013954) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID106013954
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCCCC2CCCC2)n1
InChIInChI=1S/C15H24ClN3/c1-11(2)15-18-13(16)10-14(19-15)17-9-5-8-12-6-3-4-7-12/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyVXKSFGXOWIGGMH-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327
2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80951072
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106193946
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80950784
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
CID 114137347
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine (CID 106013954) is 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(NCCCC2CCCC2)n1.
What is the InChIKey of 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VXKSFGXOWIGGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-11(2)15-18-13(16)10-14(19-15)17-9-5-8-12-6-3-4-7-12/h10-12H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106013954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).