N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide

C14H20N4O3 — CID 122319488

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide
SMILESCOc1ncc(NC(=O)C2CCC(=O)CC2)c(N(C)C)n1
InChIInChI=1S/C14H20N4O3/c1-18(2)12-11(8-15-14(17-12)21-3)16-13(20)9-4-6-10(19)7-5-9/h8-9H,4-7H2,1-3H3,(H,16,20)
InChIKeyAAJHAWQEELGVQA-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.25
Rot. Bonds4

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide (PubChem CID 122319488) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide
PubChem CID122319488
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide
SMILESCOc1ncc(NC(=O)C2CCC(=O)CC2)c(N(C)C)n1
InChIInChI=1S/C14H20N4O3/c1-18(2)12-11(8-15-14(17-12)21-3)16-13(20)9-4-6-10(19)7-5-9/h8-9H,4-7H2,1-3H3,(H,16,20)
InChIKeyAAJHAWQEELGVQA-UHFFFAOYSA-N
XLogP1.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide (CID 122319488) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide is COc1ncc(NC(=O)C2CCC(=O)CC2)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide?
The InChIKey is AAJHAWQEELGVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-18(2)12-11(8-15-14(17-12)21-3)16-13(20)9-4-6-10(19)7-5-9/h8-9H,4-7H2,1-3H3,(H,16,20).
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 122319488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).