N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine

C15H13N5O — CID 86804405

IUPACN-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2ccc(Oc3cnccn3)cc2)nc1
InChIInChI=1S/C15H13N5O/c1-6-18-15(19-7-1)20-10-12-2-4-13(5-3-12)21-14-11-16-8-9-17-14/h1-9,11H,10H2,(H,18,19,20)
InChIKeyCUQQWLUIPLVWIX-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.67
Rot. Bonds5

About N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine

N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 86804405) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine
PubChem CID86804405
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2ccc(Oc3cnccn3)cc2)nc1
InChIInChI=1S/C15H13N5O/c1-6-18-15(19-7-1)20-10-12-2-4-13(5-3-12)21-14-11-16-8-9-17-14/h1-9,11H,10H2,(H,18,19,20)
InChIKeyCUQQWLUIPLVWIX-UHFFFAOYSA-N
XLogP2.67
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
2-[2-[(4-pyrazin-2-yloxyphenyl)methylamino]phenyl]acetamide
CID 71913529
2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine
CID 166179673
2-fluoro-5-[(4-pyrazin-2-yloxyphenyl)methylamino]benzoic acid
CID 166224546
2-[4-(pyridin-3-ylmethoxy)phenoxy]pyrazine
CID 167789022
tert-butyl 4-[[(4-pyrazin-2-yloxyphenyl)methylamino]methyl]benzoate
CID 119139118
2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 111478378
2-(4-phenylphenoxy)pyrazine
CID 518373
N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine
CID 154870057
4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol
CID 111478244
tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate
CID 86791936
N-(4-pyrazin-2-yloxyphenyl)pyridin-2-amine
CID 59374194

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine (CID 86804405) is N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine is c1cnc(NCc2ccc(Oc3cnccn3)cc2)nc1.
What is the InChIKey of N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is CUQQWLUIPLVWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-6-18-15(19-7-1)20-10-12-2-4-13(5-3-12)21-14-11-16-8-9-17-14/h1-9,11H,10H2,(H,18,19,20).
What are the key properties of N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine?
N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 279.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 86804405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).