2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine

C16H28N4 — CID 106015132

IUPAC2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(NCCCC2CCCC2)n1
InChIInChI=1S/C16H28N4/c1-16(2,3)15-19-13(17)11-14(20-15)18-10-6-9-12-7-4-5-8-12/h11-12H,4-10H2,1-3H3,(H3,17,18,19,20)
InChIKeyVSTXSYKQAOBKIG-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.74
Rot. Bonds5

About 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine

2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine (PubChem CID 106015132) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
PubChem CID106015132
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(NCCCC2CCCC2)n1
InChIInChI=1S/C16H28N4/c1-16(2,3)15-19-13(17)11-14(20-15)18-10-6-9-12-7-4-5-8-12/h11-12H,4-10H2,1-3H3,(H3,17,18,19,20)
InChIKeyVSTXSYKQAOBKIG-UHFFFAOYSA-N
XLogP3.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80962139
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80790240
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
2-tert-butyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80967129
2-tert-butyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965810
2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 80962087
2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 106007172
2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 113464266
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
CID 114137347

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine (CID 106015132) is 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine is CC(C)(C)c1nc(N)cc(NCCCC2CCCC2)n1.
What is the InChIKey of 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine?
The InChIKey is VSTXSYKQAOBKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,3)15-19-13(17)11-14(20-15)18-10-6-9-12-7-4-5-8-12/h11-12H,4-10H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106015132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).