2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide

C19H33N7O — CID 166257233

IUPAC2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide
SMILESCCN1CCCN(c2cc(C(N)=O)nc(N3CCCN(CC)CC3)n2)CC1
InChIInChI=1S/C19H33N7O/c1-3-23-7-5-9-25(13-11-23)17-15-16(18(20)27)21-19(22-17)26-10-6-8-24(4-2)12-14-26/h15H,3-14H2,1-2H3,(H2,20,27)
InChIKeyMQSNPMNMSFOQBO-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.64
Rot. Bonds5

About 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide

2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide (PubChem CID 166257233) has the molecular formula C19H33N7O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide
PubChem CID166257233
Molecular FormulaC19H33N7O
Molecular Weight375.52 g/mol
Exact Mass375.27
IUPAC Name2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide
SMILESCCN1CCCN(c2cc(C(N)=O)nc(N3CCCN(CC)CC3)n2)CC1
InChIInChI=1S/C19H33N7O/c1-3-23-7-5-9-25(13-11-23)17-15-16(18(20)27)21-19(22-17)26-10-6-8-24(4-2)12-14-26/h15H,3-14H2,1-2H3,(H2,20,27)
InChIKeyMQSNPMNMSFOQBO-UHFFFAOYSA-N
XLogP0.64
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(dimethylamino)-N-ethyl-2-methoxypyrimidine-4-carboxamide
CID 122180008
2,6-Diaminopyrimidine-4-carboxamide
CID 240909
6-Piperidin-1-ylpyrimidine-2,4-dicarboxamide
CID 68522390
2,6-Bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide
CID 126829727
2,6-Bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide
CID 126829728
2,6-Bis(2-methyl-1,4-oxazepan-4-yl)pyrimidine-4-carboxamide
CID 138022631
6-[Methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide
CID 90798205
2-Chloro-6-(3,3-difluoroazetidin-1-yl)pyrimidine-4-carboxamide
CID 117902310
2-chloro-N-ethyl-6-(ethylamino)pyrimidine-4-carboxamide
CID 312617
1-[4-[2,6-Bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3363098
N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide
CID 4069395
4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 4078865

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide (CID 166257233) is 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide is CCN1CCCN(c2cc(C(N)=O)nc(N3CCCN(CC)CC3)n2)CC1.
What is the InChIKey of 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide?
The InChIKey is MQSNPMNMSFOQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O/c1-3-23-7-5-9-25(13-11-23)17-15-16(18(20)27)21-19(22-17)26-10-6-8-24(4-2)12-14-26/h15H,3-14H2,1-2H3,(H2,20,27).
What are the key properties of 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide?
2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-ethyl-1,4-diazepan-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 166257233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).