2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide

C15H21ClN6O2 — CID 70461489

IUPAC2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide
SMILESCOc1ncnc(N(C)C)c1N(Cn1nc(C)cc1C)C(=O)CCl
InChIInChI=1S/C15H21ClN6O2/c1-10-6-11(2)22(19-10)9-21(12(23)7-16)13-14(20(3)4)17-8-18-15(13)24-5/h6,8H,7,9H2,1-5H3
InChIKeyOMRPJYIDLNHKIG-UHFFFAOYSA-N
MW352.83 g/mol
LogP1.59
Rot. Bonds6

About 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide

2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide (PubChem CID 70461489) has the molecular formula C15H21ClN6O2 and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide
PubChem CID70461489
Molecular FormulaC15H21ClN6O2
Molecular Weight352.83 g/mol
Exact Mass352.14
IUPAC Name2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide
SMILESCOc1ncnc(N(C)C)c1N(Cn1nc(C)cc1C)C(=O)CCl
InChIInChI=1S/C15H21ClN6O2/c1-10-6-11(2)22(19-10)9-21(12(23)7-16)13-14(20(3)4)17-8-18-15(13)24-5/h6,8H,7,9H2,1-5H3
InChIKeyOMRPJYIDLNHKIG-UHFFFAOYSA-N
XLogP1.59
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide (CID 70461489) is 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide is COc1ncnc(N(C)C)c1N(Cn1nc(C)cc1C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide?
The InChIKey is OMRPJYIDLNHKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O2/c1-10-6-11(2)22(19-10)9-21(12(23)7-16)13-14(20(3)4)17-8-18-15(13)24-5/h6,8H,7,9H2,1-5H3.
What are the key properties of 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide?
2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide has a molecular weight of 352.83 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N-[(3,5-dimethylpyrazol-1-yl)methyl]acetamide is sourced from PubChem (CID 70461489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).