5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

C19H30N4O3 — CID 56878589

IUPAC5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCN(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C19H30N4O3/c1-12(2)16-11-23(8-4-7-22(16)10-14-5-6-14)17(24)9-15-13(3)20-19(26)21-18(15)25/h12,14,16H,4-11H2,1-3H3,(H2,20,21,25,26)
InChIKeyBOHHFDXAWZWHFX-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.88
Rot. Bonds5

About 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 56878589) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID56878589
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCN(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C19H30N4O3/c1-12(2)16-11-23(8-4-7-22(16)10-14-5-6-14)17(24)9-15-13(3)20-19(26)21-18(15)25/h12,14,16H,4-11H2,1-3H3,(H2,20,21,25,26)
InChIKeyBOHHFDXAWZWHFX-UHFFFAOYSA-N
XLogP0.88
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 56878589) is 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCN(CC2CC2)C(C(C)C)C1.
What is the InChIKey of 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is BOHHFDXAWZWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-12(2)16-11-23(8-4-7-22(16)10-14-5-6-14)17(24)9-15-13(3)20-19(26)21-18(15)25/h12,14,16H,4-11H2,1-3H3,(H2,20,21,25,26).
What are the key properties of 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 362.47 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56878589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).