4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H28N4 — CID 80967492

IUPAC4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C16H28N4/c1-4-17-14-10-15(20-16(19-14)12(2)3)18-11-13-8-6-5-7-9-13/h10,12-13H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyPECVNHFAKPVOBY-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.02
Rot. Bonds6

About 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80967492) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80967492
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C16H28N4/c1-4-17-14-10-15(20-16(19-14)12(2)3)18-11-13-8-6-5-7-9-13/h10,12-13H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyPECVNHFAKPVOBY-UHFFFAOYSA-N
XLogP4.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
[2-[[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 80959683
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
N-ethyl-6-(2-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80955848
1-cyclopropyl-2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
CID 80958153
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one
CID 80957227
4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967954
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 113486283
6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961821

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80967492) is 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NCC2CCCCC2)nc(C(C)C)n1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PECVNHFAKPVOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-17-14-10-15(20-16(19-14)12(2)3)18-11-13-8-6-5-7-9-13/h10,12-13H,4-9,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).