4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide

C10H13ClN4O2 — CID 114052850

IUPAC4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)C2COCC2N)n1
InChIInChI=1S/C10H13ClN4O2/c1-5-2-8(11)14-10(13-5)15-9(16)6-3-17-4-7(6)12/h2,6-7H,3-4,12H2,1H3,(H,13,14,15,16)
InChIKeyBYIMTYRMLYFXJF-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.35
Rot. Bonds2

About 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide

4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide (PubChem CID 114052850) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide
PubChem CID114052850
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)C2COCC2N)n1
InChIInChI=1S/C10H13ClN4O2/c1-5-2-8(11)14-10(13-5)15-9(16)6-3-17-4-7(6)12/h2,6-7H,3-4,12H2,1H3,(H,13,14,15,16)
InChIKeyBYIMTYRMLYFXJF-UHFFFAOYSA-N
XLogP0.35
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2,5-dimethylpyrazol-3-yl)oxolane-3-carboxamide
CID 66241190
3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 114052834
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306
4-amino-N-(4-bromo-2,6-dimethylphenyl)oxolane-3-carboxamide
CID 66240997
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
CID 114052865
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide
CID 66240401
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide (CID 114052850) is 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide is Cc1cc(Cl)nc(NC(=O)C2COCC2N)n1.
What is the InChIKey of 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide?
The InChIKey is BYIMTYRMLYFXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-5-2-8(11)14-10(13-5)15-9(16)6-3-17-4-7(6)12/h2,6-7H,3-4,12H2,1H3,(H,13,14,15,16).
What are the key properties of 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide?
4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 114052850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).