5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine

C16H28N4 — CID 80854553

IUPAC5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC1(CC(C)C)CCCC1
InChIInChI=1S/C16H28N4/c1-4-13-14(17)19-11-20-15(13)18-10-16(9-12(2)3)7-5-6-8-16/h11-12H,4-10H2,1-3H3,(H3,17,18,19,20)
InChIKeyQGGPJCBOMXDDRH-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.64
Rot. Bonds6

About 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine

5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine (PubChem CID 80854553) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
PubChem CID80854553
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC1(CC(C)C)CCCC1
InChIInChI=1S/C16H28N4/c1-4-13-14(17)19-11-20-15(13)18-10-16(9-12(2)3)7-5-6-8-16/h11-12H,4-10H2,1-3H3,(H3,17,18,19,20)
InChIKeyQGGPJCBOMXDDRH-UHFFFAOYSA-N
XLogP3.64
TPSA63.83 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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751
5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968693
6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
CID 81132129
1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine
CID 103078708
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
CID 115320957
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
CID 106875830
5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine
CID 134697657
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162
6-hydrazinyl-2,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidin-4-amine
CID 80928736

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine (CID 80854553) is 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCC1(CC(C)C)CCCC1.
What is the InChIKey of 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine?
The InChIKey is QGGPJCBOMXDDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-13-14(17)19-11-20-15(13)18-10-16(9-12(2)3)7-5-6-8-16/h11-12H,4-10H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine?
5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80854553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).