6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide

C14H25N5O — CID 109344902

IUPAC6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCCCN(C)C)ncn1
InChIInChI=1S/C14H25N5O/c1-5-19(6-2)13-10-12(16-11-17-13)14(20)15-8-7-9-18(3)4/h10-11H,5-9H2,1-4H3,(H,15,20)
InChIKeyZBJORHYLBNUJBT-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.00
Rot. Bonds8

About 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide

6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide (PubChem CID 109344902) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
PubChem CID109344902
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCCCN(C)C)ncn1
InChIInChI=1S/C14H25N5O/c1-5-19(6-2)13-10-12(16-11-17-13)14(20)15-8-7-9-18(3)4/h10-11H,5-9H2,1-4H3,(H,15,20)
InChIKeyZBJORHYLBNUJBT-UHFFFAOYSA-N
XLogP1.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
CID 109338516
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351354
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
N-[3-(dimethylamino)propyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342145
6-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide (CID 109344902) is 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)NCCCN(C)C)ncn1.
What is the InChIKey of 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The InChIKey is ZBJORHYLBNUJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-19(6-2)13-10-12(16-11-17-13)14(20)15-8-7-9-18(3)4/h10-11H,5-9H2,1-4H3,(H,15,20).
What are the key properties of 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).