3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide

C14H21N3O3 — CID 136935048

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESCc1nc(C)c(CCC(=O)NCC2(O)CCC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9-11(13(19)17-10(2)16-9)4-5-12(18)15-8-14(20)6-3-7-14/h20H,3-8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyDEMRMTMFRKOOBM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.35
Rot. Bonds5

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide (PubChem CID 136935048) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
PubChem CID136935048
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESCc1nc(C)c(CCC(=O)NCC2(O)CCC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9-11(13(19)17-10(2)16-9)4-5-12(18)15-8-14(20)6-3-7-14/h20H,3-8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyDEMRMTMFRKOOBM-UHFFFAOYSA-N
XLogP0.35
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide
CID 137003571
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxybutyl)propanamide
CID 136772476
N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137010429
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113658
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135783257
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-fluorophenyl)propanamide
CID 135893498
N-(2-chloro-4,6-dimethylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135871591
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-ethylphenyl)propanamide
CID 135550253
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 135676927
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-[4-(3-hydroxyoxetan-3-yl)triazol-1-yl]phenyl]methyl]propanamide
CID 167797810

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide (CID 136935048) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide is Cc1nc(C)c(CCC(=O)NCC2(O)CCC2)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is DEMRMTMFRKOOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-11(13(19)17-10(2)16-9)4-5-12(18)15-8-14(20)6-3-7-14/h20H,3-8H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 136935048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).