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

C17H23N5O3 — CID 136889983

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c(=O)[nH]1
InChIInChI=1S/C17H23N5O3/c1-9-14(17(25)20-10(2)19-9)6-15(24)21-16(11-4-13(23)5-11)12-7-18-22(3)8-12/h7-8,11,13,16,23H,4-6H2,1-3H3,(H,21,24)(H,19,20,25)/t11?,13?,16-/m1/s1
InChIKeyCZLIAQXQHRFXER-IJGSQOGDSA-N
MW345.40 g/mol
LogP0.29
Rot. Bonds5

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

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 136889983) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID136889983
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c(=O)[nH]1
InChIInChI=1S/C17H23N5O3/c1-9-14(17(25)20-10(2)19-9)6-15(24)21-16(11-4-13(23)5-11)12-7-18-22(3)8-12/h7-8,11,13,16,23H,4-6H2,1-3H3,(H,21,24)(H,19,20,25)/t11?,13?,16-/m1/s1
InChIKeyCZLIAQXQHRFXER-IJGSQOGDSA-N
XLogP0.29
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-pyridin-2-ylmethyl]acetamide
CID 136704467
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)-(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91784342
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 91771631
2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91781314
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91797284
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 91791981
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91779886
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 91773302
2-(2,3-dihydroindol-1-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91782873
1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 91771585

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide (CID 136889983) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide is Cc1nc(C)c(CC(=O)N[C@@H](c2cnn(C)c2)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)-(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is CZLIAQXQHRFXER-IJGSQOGDSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-9-14(17(25)20-10(2)19-9)6-15(24)21-16(11-4-13(23)5-11)12-7-18-22(3)8-12/h7-8,11,13,16,23H,4-6H2,1-3H3,(H,21,24)(H,19,20,25)/t11?,13?,16-/m1/s1.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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)-(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 136889983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).