N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide

C18H25N5O2 — CID 56786553

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CCC2CCCCO2)n1
InChIInChI=1S/C18H25N5O2/c1-12-10-13(2)20-18(19-12)23-16(11-14(3)22-23)21-17(24)8-7-15-6-4-5-9-25-15/h10-11,15H,4-9H2,1-3H3,(H,21,24)
InChIKeyNIAPYWYOXTXKFX-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide (PubChem CID 56786553) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide
PubChem CID56786553
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CCC2CCCCO2)n1
InChIInChI=1S/C18H25N5O2/c1-12-10-13(2)20-18(19-12)23-16(11-14(3)22-23)21-17(24)8-7-15-6-4-5-9-25-15/h10-11,15H,4-9H2,1-3H3,(H,21,24)
InChIKeyNIAPYWYOXTXKFX-UHFFFAOYSA-N
XLogP2.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 95149464
N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
CID 63939813
N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 113252056
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 55995705
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-oxa-2-azaspiro[5.5]undecan-2-yl)acetamide
CID 139004122
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55760705
N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide
CID 104819846
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825412

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide (CID 56786553) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CCC2CCCCO2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide?
The InChIKey is NIAPYWYOXTXKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-10-13(2)20-18(19-12)23-16(11-14(3)22-23)21-17(24)8-7-15-6-4-5-9-25-15/h10-11,15H,4-9H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 56786553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).