N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine

C17H20N6O — CID 166630703

IUPACN-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESCn1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cn1
InChIInChI=1S/C17H20N6O/c1-23-11-13(10-20-23)21-17-19-9-12-3-2-4-15(16(12)22-17)24-14-5-7-18-8-6-14/h2-4,9-11,14,18H,5-8H2,1H3,(H,19,21,22)
InChIKeyYSFKXOKSGISVTI-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.24
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine

N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 166630703) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine
PubChem CID166630703
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESCn1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cn1
InChIInChI=1S/C17H20N6O/c1-23-11-13(10-20-23)21-17-19-9-12-3-2-4-15(16(12)22-17)24-14-5-7-18-8-6-14/h2-4,9-11,14,18H,5-8H2,1H3,(H,19,21,22)
InChIKeyYSFKXOKSGISVTI-UHFFFAOYSA-N
XLogP2.24
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Bos172722
CID 73386890
N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
4-[8-Methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
CID 162423119
Pyrazole, 16
CID 11567059
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386768
8-N-cyclohexyl-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386878
8-N-(2,2-dimethylpropyl)-2-N-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387073
2-N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387151
8-N-(2,2-dimethylpropyl)-2-N-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387152
N2-(4-(1,2-dimethyl-1H-imidazol-5-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 89996108
N2-(4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 90000938

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine (CID 166630703) is N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine is Cn1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is YSFKXOKSGISVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-23-11-13(10-20-23)21-17-19-9-12-3-2-4-15(16(12)22-17)24-14-5-7-18-8-6-14/h2-4,9-11,14,18H,5-8H2,1H3,(H,19,21,22).
What are the key properties of N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine?
N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 324.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-8-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 166630703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).