6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine

C16H28N4 — CID 114542059

IUPAC6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NC2CCC(C)C2)n1
InChIInChI=1S/C16H28N4/c1-5-7-14-19-15(17-6-2)12(4)16(20-14)18-13-9-8-11(3)10-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeySQBPYMBJIBHOIY-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.77
Rot. Bonds6

About 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 114542059) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
PubChem CID114542059
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NC2CCC(C)C2)n1
InChIInChI=1S/C16H28N4/c1-5-7-14-19-15(17-6-2)12(4)16(20-14)18-13-9-8-11(3)10-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeySQBPYMBJIBHOIY-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine
CID 114542031
5-methyl-4-N-(3-methylcyclohexyl)-2-propylpyrimidine-4,6-diamine
CID 80994131
6-N-ethyl-5-methyl-4-N-(2-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 80985469
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
5-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]piperidin-2-one
CID 80983534
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80985130
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
N-(2,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81005985
6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994246
N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114547755
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81006435

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine (CID 114542059) is 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(NC2CCC(C)C2)n1.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is SQBPYMBJIBHOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-7-14-19-15(17-6-2)12(4)16(20-14)18-13-9-8-11(3)10-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114542059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).