4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine

C18H21N5 — CID 23881466

IUPAC4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
SMILESCc1cc(C)c2nc(Nc3nc(C)c(C)c(C)n3)nc(C)c2c1
InChIInChI=1S/C18H21N5/c1-9-7-10(2)16-15(8-9)14(6)21-18(22-16)23-17-19-12(4)11(3)13(5)20-17/h7-8H,1-6H3,(H,19,20,21,22,23)
InChIKeyUOBNRTWSRTVIRF-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.01
Rot. Bonds2

About 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine

4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine (PubChem CID 23881466) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
PubChem CID23881466
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
SMILESCc1cc(C)c2nc(Nc3nc(C)c(C)c(C)n3)nc(C)c2c1
InChIInChI=1S/C18H21N5/c1-9-7-10(2)16-15(8-9)14(6)21-18(22-16)23-17-19-12(4)11(3)13(5)20-17/h7-8H,1-6H3,(H,19,20,21,22,23)
InChIKeyUOBNRTWSRTVIRF-UHFFFAOYSA-N
XLogP4.01
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine?
The IUPAC name of 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine (CID 23881466) is 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine.
What is the SMILES notation for 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine?
The canonical SMILES for 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine is Cc1cc(C)c2nc(Nc3nc(C)c(C)c(C)n3)nc(C)c2c1.
What is the InChIKey of 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine?
The InChIKey is UOBNRTWSRTVIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-9-7-10(2)16-15(8-9)14(6)21-18(22-16)23-17-19-12(4)11(3)13(5)20-17/h7-8H,1-6H3,(H,19,20,21,22,23).
What are the key properties of 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine?
4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine is sourced from PubChem (CID 23881466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).