1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide

C15H23N5O2 — CID 127245468

IUPAC1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide
SMILESNC(=O)C1CN(c2ncccn2)CCN(C2CCOCC2)C1
InChIInChI=1S/C15H23N5O2/c16-14(21)12-10-19(13-2-8-22-9-3-13)6-7-20(11-12)15-17-4-1-5-18-15/h1,4-5,12-13H,2-3,6-11H2,(H2,16,21)
InChIKeyYYVJZEXMYMQQLV-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.12
Rot. Bonds3

About 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide

1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide (PubChem CID 127245468) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide
PubChem CID127245468
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide
SMILESNC(=O)C1CN(c2ncccn2)CCN(C2CCOCC2)C1
InChIInChI=1S/C15H23N5O2/c16-14(21)12-10-19(13-2-8-22-9-3-13)6-7-20(11-12)15-17-4-1-5-18-15/h1,4-5,12-13H,2-3,6-11H2,(H2,16,21)
InChIKeyYYVJZEXMYMQQLV-UHFFFAOYSA-N
XLogP-0.12
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide 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

(6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide
CID 124970181
(6S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124942903
2-[4-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine
CID 26392023
1-(oxan-4-yl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245462
1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
(6S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125025309
1-ethylsulfonyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 127247881
(6S)-1-(1,3-dimethylpyrazole-4-carbonyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124970749
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
[(3aS,6aS)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 97377128
1-pyrimidin-2-yl-4-(thian-4-yl)-1,4-diazepan-6-ol
CID 86285738

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide (CID 127245468) is 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide is NC(=O)C1CN(c2ncccn2)CCN(C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide?
The InChIKey is YYVJZEXMYMQQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-14(21)12-10-19(13-2-8-22-9-3-13)6-7-20(11-12)15-17-4-1-5-18-15/h1,4-5,12-13H,2-3,6-11H2,(H2,16,21).
What are the key properties of 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide?
1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 127245468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).