5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80845667

IUPAC5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2(C)CCCC2)c1CC
InChIInChI=1S/C16H28N4/c1-4-10-17-14-13(5-2)15(20-12-19-14)18-11-16(3)8-6-7-9-16/h12H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyNDHRDFOTPKGDDW-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.85
Rot. Bonds7

About 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine

5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80845667) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80845667
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2(C)CCCC2)c1CC
InChIInChI=1S/C16H28N4/c1-4-10-17-14-13(5-2)15(20-12-19-14)18-11-16(3)8-6-7-9-16/h12H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyNDHRDFOTPKGDDW-UHFFFAOYSA-N
XLogP3.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 80846461
6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63831983
5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80846627
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383
5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830097
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
5-bromo-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66341035
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80915300
N-[(1-methylcyclopentyl)methyl]quinazolin-4-amine
CID 55261394
5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830803

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80845667) is 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC2(C)CCCC2)c1CC.
What is the InChIKey of 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is NDHRDFOTPKGDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-10-17-14-13(5-2)15(20-12-19-14)18-11-16(3)8-6-7-9-16/h12H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80845667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).