4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one

C17H26N6O2 — CID 74232399

IUPAC4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCC(=O)N(C)CC1
InChIInChI=1S/C17H26N6O2/c1-13-14(16(25)22-5-4-15(24)21(3)8-11-22)12-18-17(19-13)23-9-6-20(2)7-10-23/h12H,4-11H2,1-3H3
InChIKeyGDTJXHUNGMUEAV-UHFFFAOYSA-N
MW346.44 g/mol
LogP-0.16
Rot. Bonds2

About 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one

4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one (PubChem CID 74232399) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one
PubChem CID74232399
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCC(=O)N(C)CC1
InChIInChI=1S/C17H26N6O2/c1-13-14(16(25)22-5-4-15(24)21(3)8-11-22)12-18-17(19-13)23-9-6-20(2)7-10-23/h12H,4-11H2,1-3H3
InChIKeyGDTJXHUNGMUEAV-UHFFFAOYSA-N
XLogP-0.16
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 46345558
[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 56901001
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74235155
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20959527
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 72862751
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56873874
1-[4-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 137341546
2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide
CID 95895108
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
4-methyl-2-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxamide
CID 56752248

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one?
The IUPAC name of 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one (CID 74232399) is 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one.
What is the SMILES notation for 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one?
The canonical SMILES for 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one is Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCC(=O)N(C)CC1.
What is the InChIKey of 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one?
The InChIKey is GDTJXHUNGMUEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13-14(16(25)22-5-4-15(24)21(3)8-11-22)12-18-17(19-13)23-9-6-20(2)7-10-23/h12H,4-11H2,1-3H3.
What are the key properties of 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one?
4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one has a molecular weight of 346.44 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one is sourced from PubChem (CID 74232399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).