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

C17H27N5O2 — CID 124970181

IUPAC(6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(c2ncccn2)CCN(C2CCOCC2)C1
InChIInChI=1S/C17H27N5O2/c1-20(2)16(23)14-12-21(15-4-10-24-11-5-15)8-9-22(13-14)17-18-6-3-7-19-17/h3,6-7,14-15H,4-5,8-13H2,1-2H3/t14-/m1/s1
InChIKeyJOAJLPCFXKVKLU-CQSZACIVSA-N
MW333.44 g/mol
LogP0.48
Rot. Bonds3

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

(6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide (PubChem CID 124970181) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide
PubChem CID124970181
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(c2ncccn2)CCN(C2CCOCC2)C1
InChIInChI=1S/C17H27N5O2/c1-20(2)16(23)14-12-21(15-4-10-24-11-5-15)8-9-22(13-14)17-18-6-3-7-19-17/h3,6-7,14-15H,4-5,8-13H2,1-2H3/t14-/m1/s1
InChIKeyJOAJLPCFXKVKLU-CQSZACIVSA-N
XLogP0.48
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide with MolForge

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Related Compounds

1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide
CID 127245468
(6R)-N,N-dimethyl-1-(2-methylpyrimidin-4-yl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124943585
N,N-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 127245439
(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
(6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 95804991
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
[(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
(2R,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388452

Frequently Asked Questions

What is the IUPAC name of (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide (CID 124970181) is (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide is CN(C)C(=O)[C@H]1CN(c2ncccn2)CCN(C2CCOCC2)C1.
What is the InChIKey of (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide?
The InChIKey is JOAJLPCFXKVKLU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20(2)16(23)14-12-21(15-4-10-24-11-5-15)8-9-22(13-14)17-18-6-3-7-19-17/h3,6-7,14-15H,4-5,8-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide?
(6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N,N-dimethyl-1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124970181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).