N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine

C22H21N5 — CID 134186511

IUPACN,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine
SMILESCc1cnc(Cc2ccc(N(C)c3nc(C)nc4ccccc34)cc2)cn1
InChIInChI=1S/C22H21N5/c1-15-13-24-18(14-23-15)12-17-8-10-19(11-9-17)27(3)22-20-6-4-5-7-21(20)25-16(2)26-22/h4-11,13-14H,12H2,1-3H3
InChIKeyKNBPMIUAOGRIQK-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.40
Rot. Bonds4

About N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine

N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine (PubChem CID 134186511) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine
PubChem CID134186511
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC NameN,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine
SMILESCc1cnc(Cc2ccc(N(C)c3nc(C)nc4ccccc34)cc2)cn1
InChIInChI=1S/C22H21N5/c1-15-13-24-18(14-23-15)12-17-8-10-19(11-9-17)27(3)22-20-6-4-5-7-21(20)25-16(2)26-22/h4-11,13-14H,12H2,1-3H3
InChIKeyKNBPMIUAOGRIQK-UHFFFAOYSA-N
XLogP4.40
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine?
The IUPAC name of N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine (CID 134186511) is N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine is Cc1cnc(Cc2ccc(N(C)c3nc(C)nc4ccccc34)cc2)cn1.
What is the InChIKey of N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine?
The InChIKey is KNBPMIUAOGRIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-15-13-24-18(14-23-15)12-17-8-10-19(11-9-17)27(3)22-20-6-4-5-7-21(20)25-16(2)26-22/h4-11,13-14H,12H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine?
N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine has a molecular weight of 355.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 134186511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).