N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine

C14H23N3O — CID 114221160

IUPACN-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(OC2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-3-8-15-10-12-9-11(2)16-14(17-12)18-13-6-4-5-7-13/h9,13,15H,3-8,10H2,1-2H3
InChIKeyMKVLIOOWDIARIX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.61
Rot. Bonds6

About N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine

N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 114221160) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID114221160
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(OC2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-3-8-15-10-12-9-11(2)16-14(17-12)18-13-6-4-5-7-13/h9,13,15H,3-8,10H2,1-2H3
InChIKeyMKVLIOOWDIARIX-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 795372
(6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)methanamine
CID 28904061
N-[3-(Cyclopentyloxy)propyl]-6-ethylpyrimidin-4-amine
CID 72941041
4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 75423985
N-[2-(diethylamino)ethyl]-N-(4,6-dimethyl-2-pyrimidinyl)amine
CID 734465
4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 30033469
N-{[1-(Methoxymethyl)cyclopentyl]methyl}-4,6-dimethylpyrimidin-2-amine
CID 122569417
4,6-dimethyl-N-[3-[(2R)-oxan-2-yl]propyl]pyrimidin-2-amine
CID 124224557
N-[(2S)-3-methoxy-2-methylpropyl]-4,6-dimethylpyrimidin-2-amine
CID 124428326
4,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
CID 136528518
[6-Methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine
CID 107542403
2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine
CID 62744136

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine (CID 114221160) is N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine is CCCNCc1cc(C)nc(OC2CCCC2)n1.
What is the InChIKey of N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is MKVLIOOWDIARIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-8-15-10-12-9-11(2)16-14(17-12)18-13-6-4-5-7-13/h9,13,15H,3-8,10H2,1-2H3.
What are the key properties of N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114221160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).