N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine

C17H21N5O2 — CID 100731706

IUPACN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine
SMILESCOc1cc(OC)c2ncnc(N[C@H](C)c3cn(C)nc3C)c2c1
InChIInChI=1S/C17H21N5O2/c1-10(14-8-22(3)21-11(14)2)20-17-13-6-12(23-4)7-15(24-5)16(13)18-9-19-17/h6-10H,1-5H3,(H,18,19,20)/t10-/m1/s1
InChIKeyCGCNSELISMPZIC-SNVBAGLBSA-N
MW327.39 g/mol
LogP2.86
Rot. Bonds5

About N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine

N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine (PubChem CID 100731706) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine
PubChem CID100731706
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine
SMILESCOc1cc(OC)c2ncnc(N[C@H](C)c3cn(C)nc3C)c2c1
InChIInChI=1S/C17H21N5O2/c1-10(14-8-22(3)21-11(14)2)20-17-13-6-12(23-4)7-15(24-5)16(13)18-9-19-17/h6-10H,1-5H3,(H,18,19,20)/t10-/m1/s1
InChIKeyCGCNSELISMPZIC-SNVBAGLBSA-N
XLogP2.86
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine (CID 100731706) is N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine is COc1cc(OC)c2ncnc(N[C@H](C)c3cn(C)nc3C)c2c1.
What is the InChIKey of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine?
The InChIKey is CGCNSELISMPZIC-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(14-8-22(3)21-11(14)2)20-17-13-6-12(23-4)7-15(24-5)16(13)18-9-19-17/h6-10H,1-5H3,(H,18,19,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine?
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 100731706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).