4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine

C14H25N5 — CID 80829852

IUPAC4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCN(C)C1CCCC1
InChIInChI=1S/C14H25N5/c1-3-12-13(15)17-10-18-14(12)16-8-9-19(2)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyJXHMWCFLAGZDKZ-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.91
Rot. Bonds6

About 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine

4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine (PubChem CID 80829852) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine
PubChem CID80829852
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCN(C)C1CCCC1
InChIInChI=1S/C14H25N5/c1-3-12-13(15)17-10-18-14(12)16-8-9-19(2)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyJXHMWCFLAGZDKZ-UHFFFAOYSA-N
XLogP1.91
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80835454
5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 114139951
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80812781
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66325432
N'-cyclopentyl-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80914205
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine (CID 80829852) is 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1NCCN(C)C1CCCC1.
What is the InChIKey of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine?
The InChIKey is JXHMWCFLAGZDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-12-13(15)17-10-18-14(12)16-8-9-19(2)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine?
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80829852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).