5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine

C14H13N5 — CID 80857400

IUPAC5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1c(N)ncnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H13N5/c1-10-13(15)16-9-17-14(10)19-8-12(7-18-19)11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,17)
InChIKeyNESYVSPUWUDGTN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds2

About 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine

5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 80857400) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID80857400
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1c(N)ncnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H13N5/c1-10-13(15)16-9-17-14(10)19-8-12(7-18-19)11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,17)
InChIKeyNESYVSPUWUDGTN-UHFFFAOYSA-N
XLogP2.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine (CID 80857400) is 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine is Cc1c(N)ncnc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is NESYVSPUWUDGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-10-13(15)16-9-17-14(10)19-8-12(7-18-19)11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,17).
What are the key properties of 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine?
5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80857400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).