2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide

C11H19N5O2 — CID 3069100

IUPAC2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCCCN(C)C
InChIInChI=1S/C11H19N5O2/c1-16(2)6-4-5-13-9(17)8-7-14-11(12)15-10(8)18-3/h7H,4-6H2,1-3H3,(H,13,17)(H2,12,14,15)
InChIKeyBSUXTOILAVNPIM-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.25
Rot. Bonds6

About 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide

2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3069100) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3069100
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCCCN(C)C
InChIInChI=1S/C11H19N5O2/c1-16(2)6-4-5-13-9(17)8-7-14-11(12)15-10(8)18-3/h7H,4-6H2,1-3H3,(H,13,17)(H2,12,14,15)
InChIKeyBSUXTOILAVNPIM-UHFFFAOYSA-N
XLogP-0.25
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide (CID 3069100) is 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide is COc1nc(N)ncc1C(=O)NCCCN(C)C.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is BSUXTOILAVNPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-16(2)6-4-5-13-9(17)8-7-14-11(12)15-10(8)18-3/h7H,4-6H2,1-3H3,(H,13,17)(H2,12,14,15).
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3069100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).