[2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine

C12H19N3O — CID 83189535

IUPAC[2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(OCC2CCCC2)ncc1CN
InChIInChI=1S/C12H19N3O/c1-9-11(6-13)7-14-12(15-9)16-8-10-4-2-3-5-10/h7,10H,2-6,8,13H2,1H3
InChIKeyNPDXQLQICZWQND-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds4

About [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine

[2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83189535) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83189535
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(OCC2CCCC2)ncc1CN
InChIInChI=1S/C12H19N3O/c1-9-11(6-13)7-14-12(15-9)16-8-10-4-2-3-5-10/h7,10H,2-6,8,13H2,1H3
InChIKeyNPDXQLQICZWQND-UHFFFAOYSA-N
XLogP1.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83186691
[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83189352
(2-cyclohexyl-4-methylpyrimidin-5-yl)methanamine
CID 82506978
[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine
CID 83189230
(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
CID 83188895
[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
CID 83195620
[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-5-yl]methanamine
CID 83188819
2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
CID 23020305
[4-methyl-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-yl]methanol
CID 83184394
1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 106205527
N-[2-[5-(aminomethyl)-4-methylpyrimidin-2-yl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 83196452
5-(aminomethyl)-N,N-bis(cyclopropylmethyl)-4-methylpyrimidin-2-amine
CID 83186265

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine (CID 83189535) is [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine is Cc1nc(OCC2CCCC2)ncc1CN.
What is the InChIKey of [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is NPDXQLQICZWQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-11(6-13)7-14-12(15-9)16-8-10-4-2-3-5-10/h7,10H,2-6,8,13H2,1H3.
What are the key properties of [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine?
[2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).