4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide

C15H24N4O2 — CID 3069125

IUPAC4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide
SMILESCCOc1nc(C)ncc1C(=O)NCC1CCCN1CC
InChIInChI=1S/C15H24N4O2/c1-4-19-8-6-7-12(19)9-17-14(20)13-10-16-11(3)18-15(13)21-5-2/h10,12H,4-9H2,1-3H3,(H,17,20)
InChIKeyDWYQHWWSJRBABU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.40
Rot. Bonds6

About 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide

4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 3069125) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide
PubChem CID3069125
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide
SMILESCCOc1nc(C)ncc1C(=O)NCC1CCCN1CC
InChIInChI=1S/C15H24N4O2/c1-4-19-8-6-7-12(19)9-17-14(20)13-10-16-11(3)18-15(13)21-5-2/h10,12H,4-9H2,1-3H3,(H,17,20)
InChIKeyDWYQHWWSJRBABU-UHFFFAOYSA-N
XLogP1.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-N-(1-azabicyclo[2.2.2]oct-3-yl)-4-methoxy-5-pyrimidinecarboxamide
CID 13272325
5-Pyrimidinecarboxamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methyl-4-propoxy-
CID 3055409
5-Pyrimidinecarboxamide, 2-amino-4-ethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-
CID 3055427
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-propoxy-
CID 3055428
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-isopropoxy-
CID 3055429
5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-((1-methyl-2-pyrrolidinyl)methyl)-
CID 3069103
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
CID 10969334
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-
CID 3055413
5-Pyrimidinecarboxamide, 2-amino-N-((1-butyl-2-pyrrolidinyl)methyl)-4-methoxy-
CID 3055423
5-Pyrimidinecarboxamide, 2-(dimethylamino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-
CID 3055432
5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-((1-propyl-2-pyrrolidinyl)methyl)-
CID 3055433
5-Pyrimidinecarboxamide, 2-amino-N-(2-(diethylamino)ethyl)-4-methoxy-
CID 3055434

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide (CID 3069125) is 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide is CCOc1nc(C)ncc1C(=O)NCC1CCCN1CC.
What is the InChIKey of 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is DWYQHWWSJRBABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-19-8-6-7-12(19)9-17-14(20)13-10-16-11(3)18-15(13)21-5-2/h10,12H,4-9H2,1-3H3,(H,17,20).
What are the key properties of 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide?
4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 3069125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).