4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine

C17H30N4 — CID 80771503

IUPAC4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CCCCC2)c1CCC
InChIInChI=1S/C17H30N4/c1-3-8-15-16(18-11-4-2)20-13-21-17(15)19-12-14-9-6-5-7-10-14/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyFGYKQGMTFCYZCL-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.24
Rot. Bonds8

About 4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine

4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 80771503) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID80771503
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CCCCC2)c1CCC
InChIInChI=1S/C17H30N4/c1-3-8-15-16(18-11-4-2)20-13-21-17(15)19-12-14-9-6-5-7-10-14/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyFGYKQGMTFCYZCL-UHFFFAOYSA-N
XLogP4.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
CID 106207776
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80819121
6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
6-hydrazinyl-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130795

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine (CID 80771503) is 4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC2CCCCC2)c1CCC.
What is the InChIKey of 4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is FGYKQGMTFCYZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-8-15-16(18-11-4-2)20-13-21-17(15)19-12-14-9-6-5-7-10-14/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.24, 8 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,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80771503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).