5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

C17H17N5O — CID 3233500

IUPAC5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1NCc1cnc(C)cn1
InChIInChI=1S/C17H17N5O/c1-12-7-20-13(8-19-12)9-21-17-15(10-18-11-22-17)14-5-3-4-6-16(14)23-2/h3-8,10-11H,9H2,1-2H3,(H,18,21,22)
InChIKeyWUQXACHLPNLRCZ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.86
Rot. Bonds5

About 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 3233500) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
PubChem CID3233500
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1NCc1cnc(C)cn1
InChIInChI=1S/C17H17N5O/c1-12-7-20-13(8-19-12)9-21-17-15(10-18-11-22-17)14-5-3-4-6-16(14)23-2/h3-8,10-11H,9H2,1-2H3,(H,18,21,22)
InChIKeyWUQXACHLPNLRCZ-UHFFFAOYSA-N
XLogP2.86
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (CID 3233500) is 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is COc1ccccc1-c1cncnc1NCc1cnc(C)cn1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is WUQXACHLPNLRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-7-20-13(8-19-12)9-21-17-15(10-18-11-22-17)14-5-3-4-6-16(14)23-2/h3-8,10-11H,9H2,1-2H3,(H,18,21,22).
What are the key properties of 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 307.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3233500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).