6-(butylamino)-N-propylpyrimidine-4-carboxamide

C12H20N4O — CID 109338441

IUPAC6-(butylamino)-N-propylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NCCC)ncn1
InChIInChI=1S/C12H20N4O/c1-3-5-7-13-11-8-10(15-9-16-11)12(17)14-6-4-2/h8-9H,3-7H2,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyRKAPDRRXPZGGNS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.83
Rot. Bonds7

About 6-(butylamino)-N-propylpyrimidine-4-carboxamide

6-(butylamino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109338441) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-(butylamino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-propylpyrimidine-4-carboxamide
PubChem CID109338441
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-(butylamino)-N-propylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NCCC)ncn1
InChIInChI=1S/C12H20N4O/c1-3-5-7-13-11-8-10(15-9-16-11)12(17)14-6-4-2/h8-9H,3-7H2,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyRKAPDRRXPZGGNS-UHFFFAOYSA-N
XLogP1.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
6-(butylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109339838
6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917
N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338316
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
N-butyl-6-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109340028
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butylamino)-N-propylpyrimidine-4-carboxamide (CID 109338441) is 6-(butylamino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butylamino)-N-propylpyrimidine-4-carboxamide is CCCCNc1cc(C(=O)NCCC)ncn1.
What is the InChIKey of 6-(butylamino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is RKAPDRRXPZGGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-7-13-11-8-10(15-9-16-11)12(17)14-6-4-2/h8-9H,3-7H2,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of 6-(butylamino)-N-propylpyrimidine-4-carboxamide?
6-(butylamino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).