2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide

C15H24N4O — CID 124961790

IUPAC2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc([C@H]2CCCN(C)C2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-4-7-16-15(20)14-9-13(17-11(2)18-14)12-6-5-8-19(3)10-12/h9,12H,4-8,10H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyHEDVNPXRPYOCQE-LBPRGKRZSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds4

About 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide

2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide (PubChem CID 124961790) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide
PubChem CID124961790
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc([C@H]2CCCN(C)C2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-4-7-16-15(20)14-9-13(17-11(2)18-14)12-6-5-8-19(3)10-12/h9,12H,4-8,10H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyHEDVNPXRPYOCQE-LBPRGKRZSA-N
XLogP1.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide (CID 124961790) is 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc([C@H]2CCCN(C)C2)nc(C)n1.
What is the InChIKey of 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide?
The InChIKey is HEDVNPXRPYOCQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-7-16-15(20)14-9-13(17-11(2)18-14)12-6-5-8-19(3)10-12/h9,12H,4-8,10H2,1-3H3,(H,16,20)/t12-/m0/s1.
What are the key properties of 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide?
2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 124961790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).