2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide

C17H16N6O — CID 70657945

IUPAC2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide
SMILES[H]N=c1ccn(-c2ncc(C(N)=O)c(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C17H16N6O/c1-11-3-2-4-13(9-11)21-16-14(15(19)24)10-20-17(22-16)23-7-5-12(18)6-8-23/h2-10,18H,1H3,(H2,19,24)(H,20,21,22)
InChIKeyDANAQLSPXGFJBR-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.90
Rot. Bonds4

About 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide

2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 70657945) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide
PubChem CID70657945
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide
SMILES[H]N=c1ccn(-c2ncc(C(N)=O)c(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C17H16N6O/c1-11-3-2-4-13(9-11)21-16-14(15(19)24)10-20-17(22-16)23-7-5-12(18)6-8-23/h2-10,18H,1H3,(H2,19,24)(H,20,21,22)
InChIKeyDANAQLSPXGFJBR-UHFFFAOYSA-N
XLogP1.90
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 67477026
2-[4-(hydroxymethyl)triazol-1-yl]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 70657979
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
2-[2-(diaminomethylideneamino)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 18460850
5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid
CID 3077601
2-[[2-(3,5-dichloro-4-hydroxyphenyl)ethylamino]methyl]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 91126087
4-(3-methylanilino)-2-[[(3S)-piperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 56671791
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
2-[[(1R,2S)-2-amino-5,5-difluorocyclohexyl]amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 56679797
4-(3-methylanilino)-2-[[(3S)-4-methyliminooxan-3-yl]amino]pyrimidine-5-carboxamide
CID 143890464
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920

Frequently Asked Questions

What is the IUPAC name of 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide (CID 70657945) is 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide is [H]N=c1ccn(-c2ncc(C(N)=O)c(Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is DANAQLSPXGFJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-11-3-2-4-13(9-11)21-16-14(15(19)24)10-20-17(22-16)23-7-5-12(18)6-8-23/h2-10,18H,1H3,(H2,19,24)(H,20,21,22).
What are the key properties of 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide?
2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 70657945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).