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

C13H23N5O2 — CID 3069102

IUPAC2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C13H23N5O2/c1-5-18(6-2)9(3)7-15-11(19)10-8-16-13(14)17-12(10)20-4/h8-9H,5-7H2,1-4H3,(H,15,19)(H2,14,16,17)
InChIKeyJBRWLKQPDUMHPD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.53
Rot. Bonds7

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

2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3069102) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3069102
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C13H23N5O2/c1-5-18(6-2)9(3)7-15-11(19)10-8-16-13(14)17-12(10)20-4/h8-9H,5-7H2,1-4H3,(H,15,19)(H2,14,16,17)
InChIKeyJBRWLKQPDUMHPD-UHFFFAOYSA-N
XLogP0.53
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide (CID 3069102) is 2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide is CCN(CC)C(C)CNC(=O)c1cnc(N)nc1OC.
What is the InChIKey of 2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is JBRWLKQPDUMHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-5-18(6-2)9(3)7-15-11(19)10-8-16-13(14)17-12(10)20-4/h8-9H,5-7H2,1-4H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3069102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).