4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80835008

IUPAC4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NC(C)C2CCCC2)c1C
InChIInChI=1S/C16H28N4/c1-5-10-17-15-11(2)16(20-13(4)19-15)18-12(3)14-8-6-7-9-14/h12,14H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyKCLARTRGSWAGJZ-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.91
Rot. Bonds6

About 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80835008) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80835008
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NC(C)C2CCCC2)c1C
InChIInChI=1S/C16H28N4/c1-5-10-17-15-11(2)16(20-13(4)19-15)18-12(3)14-8-6-7-9-14/h12,14H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyKCLARTRGSWAGJZ-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780005
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007115
2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984630
6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80889840
4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80827161
4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985622
2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80784345

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80835008) is 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NC(C)C2CCCC2)c1C.
What is the InChIKey of 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is KCLARTRGSWAGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-10-17-15-11(2)16(20-13(4)19-15)18-12(3)14-8-6-7-9-14/h12,14H,5-10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80835008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).