N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide

C13H21N5O — CID 75518464

IUPACN-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCCc1ncc(NC(=O)N2CCCN(C)CC2)cn1
InChIInChI=1S/C13H21N5O/c1-3-12-14-9-11(10-15-12)16-13(19)18-6-4-5-17(2)7-8-18/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyRRYYDCBEEXSQPG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.21
Rot. Bonds2

About N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide

N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide (PubChem CID 75518464) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide
PubChem CID75518464
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCCc1ncc(NC(=O)N2CCCN(C)CC2)cn1
InChIInChI=1S/C13H21N5O/c1-3-12-14-9-11(10-15-12)16-13(19)18-6-4-5-17(2)7-8-18/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyRRYYDCBEEXSQPG-UHFFFAOYSA-N
XLogP1.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide (CID 75518464) is N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide is CCc1ncc(NC(=O)N2CCCN(C)CC2)cn1.
What is the InChIKey of N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide?
The InChIKey is RRYYDCBEEXSQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-12-14-9-11(10-15-12)16-13(19)18-6-4-5-17(2)7-8-18/h9-10H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide?
N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrimidin-5-yl)-4-methyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 75518464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).