4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C20H21N7O — CID 122571443

IUPAC4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(-c3cc(NC4CC4)nc(N)n3)cc2)cn1
InChIInChI=1S/C20H21N7O/c1-12-9-23-16(10-22-12)11-24-19(28)14-4-2-13(3-5-14)17-8-18(25-15-6-7-15)27-20(21)26-17/h2-5,8-10,15H,6-7,11H2,1H3,(H,24,28)(H3,21,25,26,27)
InChIKeyVQMMBDIQPUOQGX-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.33
Rot. Bonds6

About 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide

4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 122571443) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
PubChem CID122571443
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(-c3cc(NC4CC4)nc(N)n3)cc2)cn1
InChIInChI=1S/C20H21N7O/c1-12-9-23-16(10-22-12)11-24-19(28)14-4-2-13(3-5-14)17-8-18(25-15-6-7-15)27-20(21)26-17/h2-5,8-10,15H,6-7,11H2,1H3,(H,24,28)(H3,21,25,26,27)
InChIKeyVQMMBDIQPUOQGX-UHFFFAOYSA-N
XLogP2.33
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117083427
N-[(5-methylpyrazin-2-yl)methyl]-1H-indole-6-carboxamide
CID 63770378
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 113379230
4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117082741
4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 117081020
4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide
CID 117079194
4-(2,4-dioxoimidazolidin-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 74231577
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 23530641
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651018
1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one
CID 174775659
4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841400

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 122571443) is 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2ccc(-c3cc(NC4CC4)nc(N)n3)cc2)cn1.
What is the InChIKey of 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The InChIKey is VQMMBDIQPUOQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-12-9-23-16(10-22-12)11-24-19(28)14-4-2-13(3-5-14)17-8-18(25-15-6-7-15)27-20(21)26-17/h2-5,8-10,15H,6-7,11H2,1H3,(H,24,28)(H3,21,25,26,27).
What are the key properties of 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 375.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 122571443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).