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

C15H15N5O — CID 109338626

IUPAC6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C15H15N5O/c1-2-7-17-15(21)13-8-14(19-10-18-13)20-12-5-3-11(9-16)4-6-12/h3-6,8,10H,2,7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyOBMAORAZLRISKI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds5

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

6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109338626) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109338626
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C15H15N5O/c1-2-7-17-15(21)13-8-14(19-10-18-13)20-12-5-3-11(9-16)4-6-12/h3-6,8,10H,2,7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyOBMAORAZLRISKI-UHFFFAOYSA-N
XLogP2.23
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109343097
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344404
6-(4-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354404
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
5-(4-cyanoanilino)-N-propylpyrazine-2-carboxamide
CID 109270948
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
6-(3-cyanoanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354614
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide (CID 109338626) is 6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1.
What is the InChIKey of 6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is OBMAORAZLRISKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-7-17-15(21)13-8-14(19-10-18-13)20-12-5-3-11(9-16)4-6-12/h3-6,8,10H,2,7H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide?
6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).