N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide

C15H26N6O2 — CID 10969334

IUPACN-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2cnc(NC)nc2OC)C1
InChIInChI=1S/C15H26N6O2/c1-5-21-7-6-20(3)9-11(10-21)18-13(22)12-8-17-15(16-2)19-14(12)23-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,22)(H,16,17,19)
InChIKeyIYWHZVYLRFYZLP-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.11
Rot. Bonds5

About N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide

N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 10969334) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
PubChem CID10969334
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC NameN-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2cnc(NC)nc2OC)C1
InChIInChI=1S/C15H26N6O2/c1-5-21-7-6-20(3)9-11(10-21)18-13(22)12-8-17-15(16-2)19-14(12)23-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,22)(H,16,17,19)
InChIKeyIYWHZVYLRFYZLP-UHFFFAOYSA-N
XLogP-0.11
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide (CID 10969334) is N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide is CCN1CCN(C)CC(NC(=O)c2cnc(NC)nc2OC)C1.
What is the InChIKey of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is IYWHZVYLRFYZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-5-21-7-6-20(3)9-11(10-21)18-13(22)12-8-17-15(16-2)19-14(12)23-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,22)(H,16,17,19).
What are the key properties of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide?
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 10969334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).