5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine

C16H17N5O — CID 39804660

IUPAC5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2)c(-n2nc(C)cc2C)c1
InChIInChI=1S/C16H17N5O/c1-10-6-11(2)21(20-10)15-7-13(22-3)4-5-14(15)12-8-18-16(17)19-9-12/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyDSGXEJCBEWLKHV-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.54
Rot. Bonds3

About 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine

5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine (PubChem CID 39804660) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine
PubChem CID39804660
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2)c(-n2nc(C)cc2C)c1
InChIInChI=1S/C16H17N5O/c1-10-6-11(2)21(20-10)15-7-13(22-3)4-5-14(15)12-8-18-16(17)19-9-12/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyDSGXEJCBEWLKHV-UHFFFAOYSA-N
XLogP2.54
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-Methoxyquinazoline
CID 12213273
2-Aminoquinazoline 6
CID 5330305
2-Aminoquinazoline 7
CID 5330306
8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine
CID 5330313
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Sgc-clk-1
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Sdccggsk-0000152.P001
CID 11163861
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine (CID 39804660) is 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine is COc1ccc(-c2cnc(N)nc2)c(-n2nc(C)cc2C)c1.
What is the InChIKey of 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine?
The InChIKey is DSGXEJCBEWLKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-6-11(2)21(20-10)15-7-13(22-3)4-5-14(15)12-8-18-16(17)19-9-12/h4-9H,1-3H3,(H2,17,18,19).
What are the key properties of 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine?
5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyrimidin-2-amine is sourced from PubChem (CID 39804660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).