N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

C18H26N6O2 — CID 95042991

IUPACN-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C18H26N6O2/c1-22(2)5-4-19-17(25)16-10-14(13-23(16)3)15-11-20-18(21-12-15)24-6-8-26-9-7-24/h10-13H,4-9H2,1-3H3,(H,19,25)
InChIKeyHUHATVPJNLATJV-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.61
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 95042991) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID95042991
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C18H26N6O2/c1-22(2)5-4-19-17(25)16-10-14(13-23(16)3)15-11-20-18(21-12-15)24-6-8-26-9-7-24/h10-13H,4-9H2,1-3H3,(H,19,25)
InChIKeyHUHATVPJNLATJV-UHFFFAOYSA-N
XLogP0.61
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 95042991) is N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is CN(C)CCNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is HUHATVPJNLATJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-22(2)5-4-19-17(25)16-10-14(13-23(16)3)15-11-20-18(21-12-15)24-6-8-26-9-7-24/h10-13H,4-9H2,1-3H3,(H,19,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 95042991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).