2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine

C15H26N4 — CID 80934639

IUPAC2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C15H26N4/c1-3-14-18-13(16)10-15(19-14)17-8-7-12-6-4-5-11(2)9-12/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyDFOLDHFBACLRLV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.25
Rot. Bonds5

About 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine

2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80934639) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80934639
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C15H26N4/c1-3-14-18-13(16)10-15(19-14)17-8-7-12-6-4-5-11(2)9-12/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyDFOLDHFBACLRLV-UHFFFAOYSA-N
XLogP3.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942828
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363
2-ethyl-6-N,5-dimethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80984635
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
4-N-[(3-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107415976
2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114766330
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80835454
4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80790240
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 66329019

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine (CID 80934639) is 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine is CCc1nc(N)cc(NCCC2CCCC(C)C2)n1.
What is the InChIKey of 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is DFOLDHFBACLRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-14-18-13(16)10-15(19-14)17-8-7-12-6-4-5-11(2)9-12/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80934639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).