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

C16H26N4O2 — CID 3055409

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide
SMILESCCCOc1nc(C)ncc1C(=O)NCC1CCCN1CC
InChIInChI=1S/C16H26N4O2/c1-4-9-22-16-14(11-17-12(3)19-16)15(21)18-10-13-7-6-8-20(13)5-2/h11,13H,4-10H2,1-3H3,(H,18,21)
InChIKeyFUGDTVLYRDGJHP-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.79
Rot. Bonds7

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide (PubChem CID 3055409) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide
PubChem CID3055409
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide
SMILESCCCOc1nc(C)ncc1C(=O)NCC1CCCN1CC
InChIInChI=1S/C16H26N4O2/c1-4-9-22-16-14(11-17-12(3)19-16)15(21)18-10-13-7-6-8-20(13)5-2/h11,13H,4-10H2,1-3H3,(H,18,21)
InChIKeyFUGDTVLYRDGJHP-UHFFFAOYSA-N
XLogP1.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-Pyrimidinecarboxamide, 4-ethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methyl-
CID 3069125
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
5-Pyrimidinecarboxamide, 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxy-
CID 3069098

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide (CID 3055409) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide is CCCOc1nc(C)ncc1C(=O)NCC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide?
The InChIKey is FUGDTVLYRDGJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-9-22-16-14(11-17-12(3)19-16)15(21)18-10-13-7-6-8-20(13)5-2/h11,13H,4-10H2,1-3H3,(H,18,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-propoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).