4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one

C16H24N4O — CID 56862265

IUPAC4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(c2ncccn2)CCC(=O)N1CC1CC1
InChIInChI=1S/C16H24N4O/c1-12(2)14-11-19(16-17-7-3-8-18-16)9-6-15(21)20(14)10-13-4-5-13/h3,7-8,12-14H,4-6,9-11H2,1-2H3
InChIKeyDUUFGAMXSZAHQW-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.95
Rot. Bonds4

About 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one

4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one (PubChem CID 56862265) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one
PubChem CID56862265
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(c2ncccn2)CCC(=O)N1CC1CC1
InChIInChI=1S/C16H24N4O/c1-12(2)14-11-19(16-17-7-3-8-18-16)9-6-15(21)20(14)10-13-4-5-13/h3,7-8,12-14H,4-6,9-11H2,1-2H3
InChIKeyDUUFGAMXSZAHQW-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one (CID 56862265) is 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one is CC(C)C1CN(c2ncccn2)CCC(=O)N1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one?
The InChIKey is DUUFGAMXSZAHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)14-11-19(16-17-7-3-8-18-16)9-6-15(21)20(14)10-13-4-5-13/h3,7-8,12-14H,4-6,9-11H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one has a molecular weight of 288.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-propan-2-yl-1-pyrimidin-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 56862265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).