6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

C22H22N6 — CID 3234456

IUPAC6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2ncnc3ccc(-c4ccc(N(C)C)cc4)cc23)cn1
InChIInChI=1S/C22H22N6/c1-15-11-24-18(12-23-15)13-25-22-20-10-17(6-9-21(20)26-14-27-22)16-4-7-19(8-5-16)28(2)3/h4-12,14H,13H2,1-3H3,(H,25,26,27)
InChIKeyJBTIXYZABMASJD-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.07
Rot. Bonds5

About 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (PubChem CID 3234456) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
PubChem CID3234456
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2ncnc3ccc(-c4ccc(N(C)C)cc4)cc23)cn1
InChIInChI=1S/C22H22N6/c1-15-11-24-18(12-23-15)13-25-22-20-10-17(6-9-21(20)26-14-27-22)16-4-7-19(8-5-16)28(2)3/h4-12,14H,13H2,1-3H3,(H,25,26,27)
InChIKeyJBTIXYZABMASJD-UHFFFAOYSA-N
XLogP4.07
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine
CID 3233864
6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3234919
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173
6-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]quinazolin-4-amine
CID 155340173
6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80825561
6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine
CID 69016704
N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine
CID 57415123
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72882715
N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline
CID 3234272
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3235372
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805111

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (CID 3234456) is 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is Cc1cnc(CNc2ncnc3ccc(-c4ccc(N(C)C)cc4)cc23)cn1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is JBTIXYZABMASJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-15-11-24-18(12-23-15)13-25-22-20-10-17(6-9-21(20)26-14-27-22)16-4-7-19(8-5-16)28(2)3/h4-12,14H,13H2,1-3H3,(H,25,26,27).
What are the key properties of 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).