N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine

C19H25N5 — CID 69015210

IUPACN-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine
SMILESCc1nn(C)c(C)c1-c1ccc2ncnc(NCCC(C)C)c2c1
InChIInChI=1S/C19H25N5/c1-12(2)8-9-20-19-16-10-15(6-7-17(16)21-11-22-19)18-13(3)23-24(5)14(18)4/h6-7,10-12H,8-9H2,1-5H3,(H,20,21,22)
InChIKeyMVDKWHVRTOZSAP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.11
Rot. Bonds5

About N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine

N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine (PubChem CID 69015210) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine
PubChem CID69015210
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine
SMILESCc1nn(C)c(C)c1-c1ccc2ncnc(NCCC(C)C)c2c1
InChIInChI=1S/C19H25N5/c1-12(2)8-9-20-19-16-10-15(6-7-17(16)21-11-22-19)18-13(3)23-24(5)14(18)4/h6-7,10-12H,8-9H2,1-5H3,(H,20,21,22)
InChIKeyMVDKWHVRTOZSAP-UHFFFAOYSA-N
XLogP4.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine (CID 69015210) is N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine is Cc1nn(C)c(C)c1-c1ccc2ncnc(NCCC(C)C)c2c1.
What is the InChIKey of N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine?
The InChIKey is MVDKWHVRTOZSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-12(2)8-9-20-19-16-10-15(6-7-17(16)21-11-22-19)18-13(3)23-24(5)14(18)4/h6-7,10-12H,8-9H2,1-5H3,(H,20,21,22).
What are the key properties of N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine?
N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine has a molecular weight of 323.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 69015210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).