4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H28N4 — CID 80961149

IUPAC4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC1CCC(Nc2cc(NC)nc(C(C)C)n2)CC1
InChIInChI=1S/C16H28N4/c1-5-12-6-8-13(9-7-12)18-15-10-14(17-4)19-16(20-15)11(2)3/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyPEQUGVVLIYJFJO-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.02
Rot. Bonds5

About 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80961149) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80961149
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC1CCC(Nc2cc(NC)nc(C(C)C)n2)CC1
InChIInChI=1S/C16H28N4/c1-5-12-6-8-13(9-7-12)18-15-10-14(17-4)19-16(20-15)11(2)3/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyPEQUGVVLIYJFJO-UHFFFAOYSA-N
XLogP4.02
TPSA49.84 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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961252
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80961016
4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80955979
N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968823
4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 43395250
N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277046
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 114506573
4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80840628
N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544
N-(1-ethylpiperidin-4-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 60667015

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80961149) is 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCC1CCC(Nc2cc(NC)nc(C(C)C)n2)CC1.
What is the InChIKey of 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PEQUGVVLIYJFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-12-6-8-13(9-7-12)18-15-10-14(17-4)19-16(20-15)11(2)3/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).