4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80933862

IUPAC4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCCCCC2)nc(CC)n1
InChIInChI=1S/C16H28N4/c1-3-11-17-15-12-16(20-14(4-2)19-15)18-13-9-7-5-6-8-10-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyYRJMDNPZLALULK-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.00
Rot. Bonds6

About 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80933862) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80933862
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCCCCC2)nc(CC)n1
InChIInChI=1S/C16H28N4/c1-3-11-17-15-12-16(20-14(4-2)19-15)18-13-9-7-5-6-8-10-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyYRJMDNPZLALULK-UHFFFAOYSA-N
XLogP4.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 114542211
6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
CID 80786169
4-N-(2,2-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80938291
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784
6-butoxy-N-cycloheptyl-2-ethylpyrimidin-4-amine
CID 82454357
4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80940576

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 80933862) is 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2CCCCCC2)nc(CC)n1.
What is the InChIKey of 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is YRJMDNPZLALULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-11-17-15-12-16(20-14(4-2)19-15)18-13-9-7-5-6-8-10-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).