2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide

C15H25N5O2 — CID 3055429

IUPAC2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnc(N)nc1OC(C)C
InChIInChI=1S/C15H25N5O2/c1-4-20-7-5-6-11(20)8-17-13(21)12-9-18-15(16)19-14(12)22-10(2)3/h9-11H,4-8H2,1-3H3,(H,17,21)(H2,16,18,19)
InChIKeyLIFSCRPFGRTEJM-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.06
Rot. Bonds6

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

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide (PubChem CID 3055429) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide
PubChem CID3055429
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnc(N)nc1OC(C)C
InChIInChI=1S/C15H25N5O2/c1-4-20-7-5-6-11(20)8-17-13(21)12-9-18-15(16)19-14(12)22-10(2)3/h9-11H,4-8H2,1-3H3,(H,17,21)(H2,16,18,19)
InChIKeyLIFSCRPFGRTEJM-UHFFFAOYSA-N
XLogP1.06
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.06
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-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-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-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide (CID 3055429) is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide is CCN1CCCC1CNC(=O)c1cnc(N)nc1OC(C)C.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide?
The InChIKey is LIFSCRPFGRTEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-4-20-7-5-6-11(20)8-17-13(21)12-9-18-15(16)19-14(12)22-10(2)3/h9-11H,4-8H2,1-3H3,(H,17,21)(H2,16,18,19).
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide?
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).