2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine

C13H21N3O — CID 83896746

IUPAC2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine
SMILESCOc1cnc(C2CCCC2)nc1C(C)CN
InChIInChI=1S/C13H21N3O/c1-9(7-14)12-11(17-2)8-15-13(16-12)10-5-3-4-6-10/h8-10H,3-7,14H2,1-2H3
InChIKeyHGGRPOAXIQRCKX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds4

About 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine

2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine (PubChem CID 83896746) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine
PubChem CID83896746
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine
SMILESCOc1cnc(C2CCCC2)nc1C(C)CN
InChIInChI=1S/C13H21N3O/c1-9(7-14)12-11(17-2)8-15-13(16-12)10-5-3-4-6-10/h8-10H,3-7,14H2,1-2H3
InChIKeyHGGRPOAXIQRCKX-UHFFFAOYSA-N
XLogP2.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-5-methoxypyrimidin-4-amine
CID 83820292
N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211831
2-(3-methoxy-6-methyl-2-pyridinyl)propan-1-amine
CID 84768206
(2-cyclooctylpyrimidin-5-yl)methanamine
CID 80610612
(2-cyclohexyl-4-methylpyrimidin-5-yl)methanamine
CID 82506978
2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine
CID 114207293
2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide
CID 83878076
4-(2-aminopropyl)-2-cyclopentylpyrimidin-5-ol
CID 83890097
2-(2-cyclohexyl-1,3-oxazol-5-yl)propan-1-amine
CID 115087448
N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212057
(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)methanol
CID 126974115
2-cyclopropyl-6,7-dimethoxyquinazoline
CID 90237474

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine?
The IUPAC name of 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine (CID 83896746) is 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine is COc1cnc(C2CCCC2)nc1C(C)CN.
What is the InChIKey of 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine?
The InChIKey is HGGRPOAXIQRCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(7-14)12-11(17-2)8-15-13(16-12)10-5-3-4-6-10/h8-10H,3-7,14H2,1-2H3.
What are the key properties of 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine?
2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-5-methoxypyrimidin-4-yl)propan-1-amine is sourced from PubChem (CID 83896746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).