4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine

C16H28N4 — CID 80854897

IUPAC4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(CCC(C)C)C1CCCC1
InChIInChI=1S/C16H28N4/c1-4-14-15(17)18-11-19-16(14)20(10-9-12(2)3)13-7-5-6-8-13/h11-13H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyIQBIMKGEXHKQPN-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.42
Rot. Bonds6

About 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine

4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 80854897) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID80854897
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(CCC(C)C)C1CCCC1
InChIInChI=1S/C16H28N4/c1-4-14-15(17)18-11-19-16(14)20(10-9-12(2)3)13-7-5-6-8-13/h11-13H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyIQBIMKGEXHKQPN-UHFFFAOYSA-N
XLogP3.42
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871762
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80811362
4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80787176
4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
CID 80774677
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 79033246

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 80854897) is 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1N(CCC(C)C)C1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is IQBIMKGEXHKQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-14-15(17)18-11-19-16(14)20(10-9-12(2)3)13-7-5-6-8-13/h11-13H,4-10H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine?
4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80854897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).