N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

C13H18N6O3 — CID 122319426

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cn(C)nc2OC)c(N(C)C)n1
InChIInChI=1S/C13H18N6O3/c1-18(2)10-9(6-14-13(16-10)22-5)15-11(20)8-7-19(3)17-12(8)21-4/h6-7H,1-5H3,(H,15,20)
InChIKeyHQOJYDOWASAERV-UHFFFAOYSA-N
MW306.33 g/mol
LogP0.55
Rot. Bonds5

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 122319426) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID122319426
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cn(C)nc2OC)c(N(C)C)n1
InChIInChI=1S/C13H18N6O3/c1-18(2)10-9(6-14-13(16-10)22-5)15-11(20)8-7-19(3)17-12(8)21-4/h6-7H,1-5H3,(H,15,20)
InChIKeyHQOJYDOWASAERV-UHFFFAOYSA-N
XLogP0.55
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122319474
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
CID 122319312
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122252982
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122319515
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167856488
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide
CID 122319488
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122319457
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319452
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122303009
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122319450

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 122319426) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1ncc(NC(=O)c2cn(C)nc2OC)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is HQOJYDOWASAERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-18(2)10-9(6-14-13(16-10)22-5)15-11(20)8-7-19(3)17-12(8)21-4/h6-7H,1-5H3,(H,15,20).
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122319426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).