5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C17H30N4 — CID 80821828

IUPAC5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C17H30N4/c1-4-9-19-17-20-12-14(3)16(21-17)18-10-8-15-7-5-6-13(2)11-15/h12-13,15H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyRRSNDWXYOYJJTD-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.24
Rot. Bonds7

About 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine

5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80821828) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80821828
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C17H30N4/c1-4-9-19-17-20-12-14(3)16(21-17)18-10-8-15-7-5-6-13(2)11-15/h12-13,15H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyRRSNDWXYOYJJTD-UHFFFAOYSA-N
XLogP4.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine
CID 114789119
4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
CID 83181984
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80822321
4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 106014954
5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80847547
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80835454
2-ethyl-6-N,5-dimethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80984635
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80804615
5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800040

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 80821828) is 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(NCCC2CCCC(C)C2)n1.
What is the InChIKey of 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is RRSNDWXYOYJJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-9-19-17-20-12-14(3)16(21-17)18-10-8-15-7-5-6-13(2)11-15/h12-13,15H,4-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80821828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).