N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine

C14H24N4O — CID 116501051

IUPACN-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCOCC(C)CNC1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H24N4O/c1-12(11-19-2)9-17-13-5-3-8-18(10-13)14-15-6-4-7-16-14/h4,6-7,12-13,17H,3,5,8-11H2,1-2H3
InChIKeyICDKBSOHJNYUMU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.32
Rot. Bonds6

About N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine

N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 116501051) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID116501051
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCOCC(C)CNC1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H24N4O/c1-12(11-19-2)9-17-13-5-3-8-18(10-13)14-15-6-4-7-16-14/h4,6-7,12-13,17H,3,5,8-11H2,1-2H3
InChIKeyICDKBSOHJNYUMU-UHFFFAOYSA-N
XLogP1.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728851
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 64540778
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728825
[2-propan-2-yloxy-5-[[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]amino]methyl]phenyl]methanol
CID 25460889
[2-propan-2-yloxy-5-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 45224889
1-(1-pyrimidin-2-ylpiperidin-3-yl)ethanol
CID 133397978
(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42508304

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine (CID 116501051) is N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine is COCC(C)CNC1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is ICDKBSOHJNYUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(11-19-2)9-17-13-5-3-8-18(10-13)14-15-6-4-7-16-14/h4,6-7,12-13,17H,3,5,8-11H2,1-2H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine?
N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 116501051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).