2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine

C14H24N4 — CID 107588860

IUPAC2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine
SMILESCCCNC1CCN(c2cncnc2)C(C)C1C
InChIInChI=1S/C14H24N4/c1-4-6-17-14-5-7-18(12(3)11(14)2)13-8-15-10-16-9-13/h8-12,14,17H,4-7H2,1-3H3
InChIKeyFFJPFJBRGISDNX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.08
Rot. Bonds4

About 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine

2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine (PubChem CID 107588860) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine
PubChem CID107588860
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine
SMILESCCCNC1CCN(c2cncnc2)C(C)C1C
InChIInChI=1S/C14H24N4/c1-4-6-17-14-5-7-18(12(3)11(14)2)13-8-15-10-16-9-13/h8-12,14,17H,4-7H2,1-3H3
InChIKeyFFJPFJBRGISDNX-UHFFFAOYSA-N
XLogP2.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 79397861
2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine
CID 79408053
1-(4-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396906
2-methyl-N-propyl-3-pyrimidin-5-ylcyclopentan-1-amine
CID 64910084
2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine
CID 79779697
2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine
CID 79398604
1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397422
1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397876
1-(2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397280
1-(4-bromo-3-methoxyphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 82858848
2,3-dimethyl-1-(2-methyl-3-pyridinyl)-N-propylpiperidin-4-amine
CID 79407464
1-(2,4-dichlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397728

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine (CID 107588860) is 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine is CCCNC1CCN(c2cncnc2)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine?
The InChIKey is FFJPFJBRGISDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-6-17-14-5-7-18(12(3)11(14)2)13-8-15-10-16-9-13/h8-12,14,17H,4-7H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine?
2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine is sourced from PubChem (CID 107588860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).