6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine

C14H13N5O — CID 3235003

IUPAC6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(Nc2ccn[nH]2)ncn1
InChIInChI=1S/C14H13N5O/c1-20-12-5-3-2-4-10(12)11-8-14(16-9-15-11)18-13-6-7-17-19-13/h2-9H,1H3,(H2,15,16,17,18,19)
InChIKeyAYLDUSFSYKQSKR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.62
Rot. Bonds4

About 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine

6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine (PubChem CID 3235003) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
PubChem CID3235003
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(Nc2ccn[nH]2)ncn1
InChIInChI=1S/C14H13N5O/c1-20-12-5-3-2-4-10(12)11-8-14(16-9-15-11)18-13-6-7-17-19-13/h2-9H,1H3,(H2,15,16,17,18,19)
InChIKeyAYLDUSFSYKQSKR-UHFFFAOYSA-N
XLogP2.62
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine (CID 3235003) is 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine is COc1ccccc1-c1cc(Nc2ccn[nH]2)ncn1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The InChIKey is AYLDUSFSYKQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-12-5-3-2-4-10(12)11-8-14(16-9-15-11)18-13-6-7-17-19-13/h2-9H,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine has a molecular weight of 267.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 3235003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).