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

C14H23N5O2 — CID 3055427

IUPAC2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCOc1nc(N)ncc1C(=O)NCC1CCCN1CC
InChIInChI=1S/C14H23N5O2/c1-3-19-7-5-6-10(19)8-16-12(20)11-9-17-14(15)18-13(11)21-4-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyABFYYXAMWONITJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.67
Rot. Bonds6

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

2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 3055427) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
PubChem CID3055427
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCOc1nc(N)ncc1C(=O)NCC1CCCN1CC
InChIInChI=1S/C14H23N5O2/c1-3-19-7-5-6-10(19)8-16-12(20)11-9-17-14(15)18-13(11)21-4-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyABFYYXAMWONITJ-UHFFFAOYSA-N
XLogP0.67
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide (CID 3055427) is 2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide is CCOc1nc(N)ncc1C(=O)NCC1CCCN1CC.
What is the InChIKey of 2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is ABFYYXAMWONITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-19-7-5-6-10(19)8-16-12(20)11-9-17-14(15)18-13(11)21-4-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18).
What are the key properties of 2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 3055427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).