2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide

C18H22N4O3 — CID 136704467

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](c2ccccn2)C2CC(O)C2)c(=O)[nH]1
InChIInChI=1S/C18H22N4O3/c1-10-14(18(25)21-11(2)20-10)9-16(24)22-17(12-7-13(23)8-12)15-5-3-4-6-19-15/h3-6,12-13,17,23H,7-9H2,1-2H3,(H,22,24)(H,20,21,25)/t12?,13?,17-/m1/s1
InChIKeySTBIXGMNMKRYNV-QWQCLYJRSA-N
MW342.40 g/mol
LogP0.95
Rot. Bonds5

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide (PubChem CID 136704467) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
PubChem CID136704467
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](c2ccccn2)C2CC(O)C2)c(=O)[nH]1
InChIInChI=1S/C18H22N4O3/c1-10-14(18(25)21-11(2)20-10)9-16(24)22-17(12-7-13(23)8-12)15-5-3-4-6-19-15/h3-6,12-13,17,23H,7-9H2,1-2H3,(H,22,24)(H,20,21,25)/t12?,13?,17-/m1/s1
InChIKeySTBIXGMNMKRYNV-QWQCLYJRSA-N
XLogP0.95
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 136662146
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 136889983
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136665194
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(1H-indol-3-yl)acetamide
CID 91777299
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
CID 91782416
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91789713
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91782151
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-indol-1-ylacetamide
CID 91766951
5-ethyl-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-pyrazole-4-carboxamide
CID 91768711
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 91780244
2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91797524
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide (CID 136704467) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide is Cc1nc(C)c(CC(=O)N[C@@H](c2ccccn2)C2CC(O)C2)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
The InChIKey is STBIXGMNMKRYNV-QWQCLYJRSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-10-14(18(25)21-11(2)20-10)9-16(24)22-17(12-7-13(23)8-12)15-5-3-4-6-19-15/h3-6,12-13,17,23H,7-9H2,1-2H3,(H,22,24)(H,20,21,25)/t12?,13?,17-/m1/s1.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 136704467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).