5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

C11H15N5 — CID 154770177

IUPAC5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)c1nn(C)cc1-c1cnc(N)nc1
InChIInChI=1S/C11H15N5/c1-7(2)10-9(6-16(3)15-10)8-4-13-11(12)14-5-8/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyMRAVARSTUQPUCP-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.58
Rot. Bonds2

About 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 154770177) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID154770177
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)c1nn(C)cc1-c1cnc(N)nc1
InChIInChI=1S/C11H15N5/c1-7(2)10-9(6-16(3)15-10)8-4-13-11(12)14-5-8/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyMRAVARSTUQPUCP-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (CID 154770177) is 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is CC(C)c1nn(C)cc1-c1cnc(N)nc1.
What is the InChIKey of 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is MRAVARSTUQPUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7(2)10-9(6-16(3)15-10)8-4-13-11(12)14-5-8/h4-7H,1-3H3,(H2,12,13,14).
What are the key properties of 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 217.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 154770177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).