2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine

C16H28N4 — CID 80934958

IUPAC2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NCC2CCC(CC)CC2)n1
InChIInChI=1S/C16H28N4/c1-4-12-6-8-13(9-7-12)11-18-16-10-15(17-3)19-14(5-2)20-16/h10,12-13H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyPBQQBLCLCSZTQP-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.71
Rot. Bonds6

About 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine

2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80934958) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID80934958
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NCC2CCC(CC)CC2)n1
InChIInChI=1S/C16H28N4/c1-4-12-6-8-13(9-7-12)11-18-16-10-15(17-3)19-14(5-2)20-16/h10,12-13H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyPBQQBLCLCSZTQP-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80933633
6-N-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950301
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
4-N-(cyclobutylmethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401346
6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935176
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148553
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine (CID 80934958) is 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(NCC2CCC(CC)CC2)n1.
What is the InChIKey of 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is PBQQBLCLCSZTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-12-6-8-13(9-7-12)11-18-16-10-15(17-3)19-14(5-2)20-16/h10,12-13H,4-9,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).