1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one

C14H18N4O3 — CID 166245006

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one
SMILESCN1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CCC1=O
InChIInChI=1S/C14H18N4O3/c1-17-6-7-18(5-4-12(17)20)14(21)10-8-11(19)16-13(15-10)9-2-3-9/h8-9H,2-7H2,1H3,(H,15,16,19)
InChIKeyRHYITYPQOTVYPC-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.05
Rot. Bonds2

About 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one

1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one (PubChem CID 166245006) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one
PubChem CID166245006
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one
SMILESCN1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CCC1=O
InChIInChI=1S/C14H18N4O3/c1-17-6-7-18(5-4-12(17)20)14(21)10-8-11(19)16-13(15-10)9-2-3-9/h8-9H,2-7H2,1H3,(H,15,16,19)
InChIKeyRHYITYPQOTVYPC-UHFFFAOYSA-N
XLogP-0.05
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one (CID 166245006) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one is CN1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CCC1=O.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one?
The InChIKey is RHYITYPQOTVYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-17-6-7-18(5-4-12(17)20)14(21)10-8-11(19)16-13(15-10)9-2-3-9/h8-9H,2-7H2,1H3,(H,15,16,19).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one?
1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one has a molecular weight of 290.32 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one is sourced from PubChem (CID 166245006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).