6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide

C14H25N5O — CID 109344114

IUPAC6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCCN(C)C)ncn1
InChIInChI=1S/C14H25N5O/c1-4-5-6-7-16-14(20)12-10-13(18-11-17-12)15-8-9-19(2)3/h10-11H,4-9H2,1-3H3,(H,16,20)(H,15,17,18)
InChIKeyFOZHKSFAGVBAJA-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.37
Rot. Bonds9

About 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide

6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide (PubChem CID 109344114) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
PubChem CID109344114
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCCN(C)C)ncn1
InChIInChI=1S/C14H25N5O/c1-4-5-6-7-16-14(20)12-10-13(18-11-17-12)15-8-9-19(2)3/h10-11H,4-9H2,1-3H3,(H,16,20)(H,15,17,18)
InChIKeyFOZHKSFAGVBAJA-UHFFFAOYSA-N
XLogP1.37
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
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-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109350857
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide
CID 109348691
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
6-(1,3-benzodioxol-5-ylmethylamino)-N-pentylpyrimidine-4-carboxamide
CID 109349254
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide (CID 109344114) is 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(NCCN(C)C)ncn1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The InChIKey is FOZHKSFAGVBAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-5-6-7-16-14(20)12-10-13(18-11-17-12)15-8-9-19(2)3/h10-11H,4-9H2,1-3H3,(H,16,20)(H,15,17,18).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109344114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).