4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80790570

IUPAC4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCCC2CCCC2)c1C
InChIInChI=1S/C16H28N4/c1-4-10-17-15-12(2)16(20-13(3)19-15)18-11-9-14-7-5-6-8-14/h14H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyHDFVHIMQYZQKOU-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.91
Rot. Bonds7

About 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80790570) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80790570
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCCC2CCCC2)c1C
InChIInChI=1S/C16H28N4/c1-4-10-17-15-12(2)16(20-13(3)19-15)18-11-9-14-7-5-6-8-14/h14H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyHDFVHIMQYZQKOU-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80834957
6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80889840
N-(3-cyclopentylpropyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 114137258
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
4-N-(2-cyclohexylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80986153
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80783839
2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298770
N-(2-cyclohexylethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994713

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80790570) is 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCCC2CCCC2)c1C.
What is the InChIKey of 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is HDFVHIMQYZQKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-10-17-15-12(2)16(20-13(3)19-15)18-11-9-14-7-5-6-8-14/h14H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80790570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).