6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

C19H28N4O4 — CID 56867425

IUPAC6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)C1CN(C(=O)c2cc(=O)n(C)c(=O)n2C)CCC(=O)N1CC1CC1
InChIInChI=1S/C19H28N4O4/c1-12(2)15-11-22(8-7-16(24)23(15)10-13-5-6-13)18(26)14-9-17(25)21(4)19(27)20(14)3/h9,12-13,15H,5-8,10-11H2,1-4H3
InChIKeyMJPKUZUKHPWULZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.19
Rot. Bonds4

About 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 56867425) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID56867425
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)C1CN(C(=O)c2cc(=O)n(C)c(=O)n2C)CCC(=O)N1CC1CC1
InChIInChI=1S/C19H28N4O4/c1-12(2)15-11-22(8-7-16(24)23(15)10-13-5-6-13)18(26)14-9-17(25)21(4)19(27)20(14)3/h9,12-13,15H,5-8,10-11H2,1-4H3
InChIKeyMJPKUZUKHPWULZ-UHFFFAOYSA-N
XLogP0.19
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (CID 56867425) is 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is CC(C)C1CN(C(=O)c2cc(=O)n(C)c(=O)n2C)CCC(=O)N1CC1CC1.
What is the InChIKey of 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MJPKUZUKHPWULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-12(2)15-11-22(8-7-16(24)23(15)10-13-5-6-13)18(26)14-9-17(25)21(4)19(27)20(14)3/h9,12-13,15H,5-8,10-11H2,1-4H3.
What are the key properties of 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 56867425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).