N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine

C19H21N5 — CID 155453173

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine
SMILESCc1cc(C)nc(Nc2nc(C)c3ccc4c(c3n2)CCCC4)n1
InChIInChI=1S/C19H21N5/c1-11-10-12(2)21-18(20-11)24-19-22-13(3)15-9-8-14-6-4-5-7-16(14)17(15)23-19/h8-10H,4-7H2,1-3H3,(H,20,21,22,23,24)
InChIKeyUQWXCHPQGCFGRC-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.97
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine

N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine (PubChem CID 155453173) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine
PubChem CID155453173
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine
SMILESCc1cc(C)nc(Nc2nc(C)c3ccc4c(c3n2)CCCC4)n1
InChIInChI=1S/C19H21N5/c1-11-10-12(2)21-18(20-11)24-19-22-13(3)15-9-8-14-6-4-5-7-16(14)17(15)23-19/h8-10H,4-7H2,1-3H3,(H,20,21,22,23,24)
InChIKeyUQWXCHPQGCFGRC-UHFFFAOYSA-N
XLogP3.97
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine (CID 155453173) is N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine is Cc1cc(C)nc(Nc2nc(C)c3ccc4c(c3n2)CCCC4)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine?
The InChIKey is UQWXCHPQGCFGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-11-10-12(2)21-18(20-11)24-19-22-13(3)15-9-8-14-6-4-5-7-16(14)17(15)23-19/h8-10H,4-7H2,1-3H3,(H,20,21,22,23,24).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine?
N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine has a molecular weight of 319.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 155453173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).