3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine

C15H20N6 — CID 69076273

IUPAC3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)N=C(N)N(C)C2N
InChIInChI=1S/C15H20N6/c1-8-13(9(2)21(4)19-8)10-5-6-11-12(7-10)18-15(17)20(3)14(11)16/h5-7,14H,16H2,1-4H3,(H2,17,18)
InChIKeyIIFPFOXHANUBKU-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.55
Rot. Bonds1

About 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine

3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine (PubChem CID 69076273) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine.

Molecular Properties

Compound Name3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine
PubChem CID69076273
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)N=C(N)N(C)C2N
InChIInChI=1S/C15H20N6/c1-8-13(9(2)21(4)19-8)10-5-6-11-12(7-10)18-15(17)20(3)14(11)16/h5-7,14H,16H2,1-4H3,(H2,17,18)
InChIKeyIIFPFOXHANUBKU-UHFFFAOYSA-N
XLogP1.55
TPSA85.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-7-(2-methylsulfanylphenyl)-4H-quinazoline-2,4-diamine
CID 69078741
(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154534
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154366
N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154364
(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154365
4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole
CID 102168707
N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154368
1-[2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanone
CID 82779554
N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11681775
1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine
CID 54910094

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine?
The IUPAC name of 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine (CID 69076273) is 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine.
What is the SMILES notation for 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine?
The canonical SMILES for 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine is Cc1nn(C)c(C)c1-c1ccc2c(c1)N=C(N)N(C)C2N.
What is the InChIKey of 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine?
The InChIKey is IIFPFOXHANUBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-8-13(9(2)21(4)19-8)10-5-6-11-12(7-10)18-15(17)20(3)14(11)16/h5-7,14H,16H2,1-4H3,(H2,17,18).
What are the key properties of 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine?
3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine has a molecular weight of 284.37 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-4H-quinazoline-2,4-diamine is sourced from PubChem (CID 69076273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).