2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine

C18H15ClN6O — CID 170316954

IUPAC2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1NCc1ccc(-c2nccn3ccnc23)cc1
InChIInChI=1S/C18H15ClN6O/c1-26-14-11-23-18(19)24-16(14)22-10-12-2-4-13(5-3-12)15-17-21-7-9-25(17)8-6-20-15/h2-9,11H,10H2,1H3,(H,22,23,24)
InChIKeyYFSFGSAHZPSUAL-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.46
Rot. Bonds5

About 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine

2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine (PubChem CID 170316954) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine
PubChem CID170316954
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1NCc1ccc(-c2nccn3ccnc23)cc1
InChIInChI=1S/C18H15ClN6O/c1-26-14-11-23-18(19)24-16(14)22-10-12-2-4-13(5-3-12)15-17-21-7-9-25(17)8-6-20-15/h2-9,11H,10H2,1H3,(H,22,23,24)
InChIKeyYFSFGSAHZPSUAL-UHFFFAOYSA-N
XLogP3.46
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine (CID 170316954) is 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine is COc1cnc(Cl)nc1NCc1ccc(-c2nccn3ccnc23)cc1.
What is the InChIKey of 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine?
The InChIKey is YFSFGSAHZPSUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-26-14-11-23-18(19)24-16(14)22-10-12-2-4-13(5-3-12)15-17-21-7-9-25(17)8-6-20-15/h2-9,11H,10H2,1H3,(H,22,23,24).
What are the key properties of 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine?
2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine has a molecular weight of 366.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 170316954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).