N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine

C13H21N3 — CID 107188092

IUPACN-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)C1CCCC1C
InChIInChI=1S/C13H21N3/c1-3-16-13(11-7-14-9-15-8-11)12-6-4-5-10(12)2/h7-10,12-13,16H,3-6H2,1-2H3
InChIKeyCOTINWUYOZQSIW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds4

About N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine

N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 107188092) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID107188092
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)C1CCCC1C
InChIInChI=1S/C13H21N3/c1-3-16-13(11-7-14-9-15-8-11)12-6-4-5-10(12)2/h7-10,12-13,16H,3-6H2,1-2H3
InChIKeyCOTINWUYOZQSIW-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 107191060
N-[(2-methylcyclopentyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107190433
N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107004233
N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
CID 115827057
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395
N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190527
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
N-[(1,1-dioxothiolan-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 115336884

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine (CID 107188092) is N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)C1CCCC1C.
What is the InChIKey of N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is COTINWUYOZQSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-16-13(11-7-14-9-15-8-11)12-6-4-5-10(12)2/h7-10,12-13,16H,3-6H2,1-2H3.
What are the key properties of N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 107188092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).