4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine

C15H26N4 — CID 80841357

IUPAC4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCCC(CC)C2)ncn1
InChIInChI=1S/C15H26N4/c1-3-8-16-14-10-15(18-11-17-14)19-13-7-5-6-12(4-2)9-13/h10-13H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyJWNFYUGTOPQTGS-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.68
Rot. Bonds6

About 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80841357) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80841357
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCCC(CC)C2)ncn1
InChIInChI=1S/C15H26N4/c1-3-8-16-14-10-15(18-11-17-14)19-13-7-5-6-12(4-2)9-13/h10-13H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyJWNFYUGTOPQTGS-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
CID 115417081
2-N-(3-ethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80840757
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80782563
4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80840628
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 65413615
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine (CID 80841357) is 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2CCCC(CC)C2)ncn1.
What is the InChIKey of 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JWNFYUGTOPQTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-8-16-14-10-15(18-11-17-14)19-13-7-5-6-12(4-2)9-13/h10-13H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80841357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).