4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine

C15H17N5 — CID 146237735

IUPAC4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine
SMILESCC1=NCC(c2nn(-c3ccccc3)c(N)c2C)=CN1
InChIInChI=1S/C15H17N5/c1-10-14(12-8-17-11(2)18-9-12)19-20(15(10)16)13-6-4-3-5-7-13/h3-8H,9,16H2,1-2H3,(H,17,18)
InChIKeyXNNIEKIWPYHFQB-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.13
Rot. Bonds2

About 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine

4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine (PubChem CID 146237735) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine
PubChem CID146237735
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine
SMILESCC1=NCC(c2nn(-c3ccccc3)c(N)c2C)=CN1
InChIInChI=1S/C15H17N5/c1-10-14(12-8-17-11(2)18-9-12)19-20(15(10)16)13-6-4-3-5-7-13/h3-8H,9,16H2,1-2H3,(H,17,18)
InChIKeyXNNIEKIWPYHFQB-UHFFFAOYSA-N
XLogP2.13
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine?
The IUPAC name of 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine (CID 146237735) is 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine is CC1=NCC(c2nn(-c3ccccc3)c(N)c2C)=CN1.
What is the InChIKey of 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine?
The InChIKey is XNNIEKIWPYHFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-14(12-8-17-11(2)18-9-12)19-20(15(10)16)13-6-4-3-5-7-13/h3-8H,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine?
4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine has a molecular weight of 267.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 146237735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).