2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

C16H28N4 — CID 80993102

IUPAC2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(N(C)C2CCCC2)c1C
InChIInChI=1S/C16H28N4/c1-11-13(17-5)18-15(16(2,3)4)19-14(11)20(6)12-9-7-8-10-12/h12H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyKXNHGAPCSYCNQD-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.50
Rot. Bonds3

About 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80993102) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
PubChem CID80993102
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(N(C)C2CCCC2)c1C
InChIInChI=1S/C16H28N4/c1-11-13(17-5)18-15(16(2,3)4)19-14(11)20(6)12-9-7-8-10-12/h12H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyKXNHGAPCSYCNQD-UHFFFAOYSA-N
XLogP3.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984630
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 80981578
2-tert-butyl-6-hydrazinyl-N,5-dimethyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82746566
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80984473
4-N,6-N,2,5-tetramethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80799875
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981493
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006290
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80993315
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (CID 80993102) is 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C(C)(C)C)nc(N(C)C2CCCC2)c1C.
What is the InChIKey of 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is KXNHGAPCSYCNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-11-13(17-5)18-15(16(2,3)4)19-14(11)20(6)12-9-7-8-10-12/h12H,7-10H2,1-6H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80993102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).