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

C13H23N5O2 — CID 3069101

IUPAC2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C13H23N5O2/c1-4-18(5-2)8-6-7-15-11(19)10-9-16-13(14)17-12(10)20-3/h9H,4-8H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyQNUKQJSFIBDNRL-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.53
Rot. Bonds8

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

2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3069101) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3069101
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C13H23N5O2/c1-4-18(5-2)8-6-7-15-11(19)10-9-16-13(14)17-12(10)20-3/h9H,4-8H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyQNUKQJSFIBDNRL-UHFFFAOYSA-N
XLogP0.53
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.53
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-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide (CID 3069101) is 2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide is CCN(CC)CCCNC(=O)c1cnc(N)nc1OC.
What is the InChIKey of 2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is QNUKQJSFIBDNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-18(5-2)8-6-7-15-11(19)10-9-16-13(14)17-12(10)20-3/h9H,4-8H2,1-3H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3069101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).