[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C16H23N7O — CID 70761284

IUPAC[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cnn(C(C)C)c3)CC2)nc(N)n1
InChIInChI=1S/C16H23N7O/c1-11(2)23-10-13(9-18-23)15(24)22-6-4-21(5-7-22)14-8-12(3)19-16(17)20-14/h8-11H,4-7H2,1-3H3,(H2,17,19,20)
InChIKeyHJSGITKDQQWVMQ-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.11
Rot. Bonds3

About [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 70761284) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID70761284
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cnn(C(C)C)c3)CC2)nc(N)n1
InChIInChI=1S/C16H23N7O/c1-11(2)23-10-13(9-18-23)15(24)22-6-4-21(5-7-22)14-8-12(3)19-16(17)20-14/h8-11H,4-7H2,1-3H3,(H2,17,19,20)
InChIKeyHJSGITKDQQWVMQ-UHFFFAOYSA-N
XLogP1.11
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 70761284) is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is Cc1cc(N2CCN(C(=O)c3cnn(C(C)C)c3)CC2)nc(N)n1.
What is the InChIKey of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is HJSGITKDQQWVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-11(2)23-10-13(9-18-23)15(24)22-6-4-21(5-7-22)14-8-12(3)19-16(17)20-14/h8-11H,4-7H2,1-3H3,(H2,17,19,20).
What are the key properties of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 329.41 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 70761284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).