2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide

C16H15N7O — CID 172624241

IUPAC2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide
SMILESCc1cncc(Nc2cc(Nc3ccccc3C(N)=O)ncn2)n1
InChIInChI=1S/C16H15N7O/c1-10-7-18-8-15(21-10)23-14-6-13(19-9-20-14)22-12-5-3-2-4-11(12)16(17)24/h2-9H,1H3,(H2,17,24)(H2,19,20,21,22,23)
InChIKeyXYDHENZILKKMHP-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.16
Rot. Bonds5

About 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide

2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide (PubChem CID 172624241) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide
PubChem CID172624241
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide
SMILESCc1cncc(Nc2cc(Nc3ccccc3C(N)=O)ncn2)n1
InChIInChI=1S/C16H15N7O/c1-10-7-18-8-15(21-10)23-14-6-13(19-9-20-14)22-12-5-3-2-4-11(12)16(17)24/h2-9H,1H3,(H2,17,24)(H2,19,20,21,22,23)
InChIKeyXYDHENZILKKMHP-UHFFFAOYSA-N
XLogP2.16
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide
CID 172624349
methyl 2-[[6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866797
2-[[6-[[(NZ)-N-butan-2-ylidene-N'-methylcarbamimidoyl]amino]pyrimidin-4-yl]amino]benzamide
CID 172624327
2-[[6-(4-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195057
2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
CID 117076911
2-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195056
2-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195071
2-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195124
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
ethyl 2-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]benzoate
CID 112854860
ethyl 2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112855434
2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
CID 117077466

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide?
The IUPAC name of 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide (CID 172624241) is 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide is Cc1cncc(Nc2cc(Nc3ccccc3C(N)=O)ncn2)n1.
What is the InChIKey of 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide?
The InChIKey is XYDHENZILKKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-10-7-18-8-15(21-10)23-14-6-13(19-9-20-14)22-12-5-3-2-4-11(12)16(17)24/h2-9H,1H3,(H2,17,24)(H2,19,20,21,22,23).
What are the key properties of 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide?
2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide has a molecular weight of 321.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 172624241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).