2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine

C14H24N4 — CID 114126574

IUPAC2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC2(CC)CCCC2)n1
InChIInChI=1S/C14H24N4/c1-3-12-17-11(15)9-13(18-12)16-10-14(4-2)7-5-6-8-14/h9H,3-8,10H2,1-2H3,(H3,15,16,17,18)
InChIKeyURFWJVIGTJLXRJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.00
Rot. Bonds5

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

2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine (PubChem CID 114126574) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
PubChem CID114126574
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC2(CC)CCCC2)n1
InChIInChI=1S/C14H24N4/c1-3-12-17-11(15)9-13(18-12)16-10-14(4-2)7-5-6-8-14/h9H,3-8,10H2,1-2H3,(H3,15,16,17,18)
InChIKeyURFWJVIGTJLXRJ-UHFFFAOYSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115457185
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine
CID 80854484
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363
2-ethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935409
2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759552
2-N-[(1-ethylcyclopentyl)methyl]-6-methoxypyridine-2,5-diamine
CID 114124645
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
CID 80941585
2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine
CID 83028170

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine (CID 114126574) is 2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine is CCc1nc(N)cc(NCC2(CC)CCCC2)n1.
What is the InChIKey of 2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is URFWJVIGTJLXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-12-17-11(15)9-13(18-12)16-10-14(4-2)7-5-6-8-14/h9H,3-8,10H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine?
2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114126574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).