3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C19H22N6O2 — CID 122560261

IUPAC3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCC(C)Oc1cc(-c2cccc(C(=O)NCc3cnn(C)c3)c2)nc(N)n1
InChIInChI=1S/C19H22N6O2/c1-12(2)27-17-8-16(23-19(20)24-17)14-5-4-6-15(7-14)18(26)21-9-13-10-22-25(3)11-13/h4-8,10-12H,9H2,1-3H3,(H,21,26)(H2,20,23,24)
InChIKeyPRZUJTBLBCMSMT-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.18
Rot. Bonds6

About 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 122560261) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID122560261
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCC(C)Oc1cc(-c2cccc(C(=O)NCc3cnn(C)c3)c2)nc(N)n1
InChIInChI=1S/C19H22N6O2/c1-12(2)27-17-8-16(23-19(20)24-17)14-5-4-6-15(7-14)18(26)21-9-13-10-22-25(3)11-13/h4-8,10-12H,9H2,1-3H3,(H,21,26)(H2,20,23,24)
InChIKeyPRZUJTBLBCMSMT-UHFFFAOYSA-N
XLogP2.18
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 122560261) is 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CC(C)Oc1cc(-c2cccc(C(=O)NCc3cnn(C)c3)c2)nc(N)n1.
What is the InChIKey of 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is PRZUJTBLBCMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(2)27-17-8-16(23-19(20)24-17)14-5-4-6-15(7-14)18(26)21-9-13-10-22-25(3)11-13/h4-8,10-12H,9H2,1-3H3,(H,21,26)(H2,20,23,24).
What are the key properties of 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 366.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122560261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).