2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

C18H24N6O — CID 133349720

IUPAC2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1nc(-c2cccnc2)nc(N2CCN(C(C)C(N)=O)CC2)c1C
InChIInChI=1S/C18H24N6O/c1-12-13(2)21-17(15-5-4-6-20-11-15)22-18(12)24-9-7-23(8-10-24)14(3)16(19)25/h4-6,11,14H,7-10H2,1-3H3,(H2,19,25)
InChIKeyNNYZAXGMWOHTJC-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.15
Rot. Bonds4

About 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 133349720) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID133349720
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1nc(-c2cccnc2)nc(N2CCN(C(C)C(N)=O)CC2)c1C
InChIInChI=1S/C18H24N6O/c1-12-13(2)21-17(15-5-4-6-20-11-15)22-18(12)24-9-7-23(8-10-24)14(3)16(19)25/h4-6,11,14H,7-10H2,1-3H3,(H2,19,25)
InChIKeyNNYZAXGMWOHTJC-UHFFFAOYSA-N
XLogP1.15
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 133317098
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133316654
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133310277
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133319218
ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387241
N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
CID 133287736
1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356454
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 133317426
methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate
CID 133379732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (CID 133349720) is 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is Cc1nc(-c2cccnc2)nc(N2CCN(C(C)C(N)=O)CC2)c1C.
What is the InChIKey of 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is NNYZAXGMWOHTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-13(2)21-17(15-5-4-6-20-11-15)22-18(12)24-9-7-23(8-10-24)14(3)16(19)25/h4-6,11,14H,7-10H2,1-3H3,(H2,19,25).
What are the key properties of 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 133349720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).