4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

C17H28N4 — CID 80986033

IUPAC4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(N(C)CC2CCCCC2)c1C
InChIInChI=1S/C17H28N4/c1-12-15(18-2)19-16(14-9-10-14)20-17(12)21(3)11-13-7-5-4-6-8-13/h13-14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyYUGHOUHRXKUIFG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.72
Rot. Bonds5

About 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80986033) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
PubChem CID80986033
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(N(C)CC2CCCCC2)c1C
InChIInChI=1S/C17H28N4/c1-12-15(18-2)19-16(14-9-10-14)20-17(12)21(3)11-13-7-5-4-6-8-13/h13-14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyYUGHOUHRXKUIFG-UHFFFAOYSA-N
XLogP3.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclohexylmethyl)-4-N,6-N,5-trimethyl-2-propylpyrimidine-4,6-diamine
CID 80987928
4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80798270
4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277
2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993475
4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986468
2-cyclopropyl-4-N,6-N,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80982960
2-[cyanomethyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80976424
4-N-cyclohexyl-2-cyclopropyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980958
2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80982764
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80984918
2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80983019
N-(cyclobutylmethyl)-2-ethyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006190

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (CID 80986033) is 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C2CC2)nc(N(C)CC2CCCCC2)c1C.
What is the InChIKey of 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is YUGHOUHRXKUIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-12-15(18-2)19-16(14-9-10-14)20-17(12)21(3)11-13-7-5-4-6-8-13/h13-14H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).