2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one

C18H18N8O — CID 135915486

IUPAC2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESCc1cnc(NCCc2nc3ccccc3c(=O)[nH]2)nc1-c1ncnn1C
InChIInChI=1S/C18H18N8O/c1-11-9-20-18(25-15(11)16-21-10-22-26(16)2)19-8-7-14-23-13-6-4-3-5-12(13)17(27)24-14/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,25)(H,23,24,27)
InChIKeyVMLLVIPMWGVKMB-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.47
Rot. Bonds5

About 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one

2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one (PubChem CID 135915486) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one
PubChem CID135915486
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESCc1cnc(NCCc2nc3ccccc3c(=O)[nH]2)nc1-c1ncnn1C
InChIInChI=1S/C18H18N8O/c1-11-9-20-18(25-15(11)16-21-10-22-26(16)2)19-8-7-14-23-13-6-4-3-5-12(13)17(27)24-14/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,25)(H,23,24,27)
InChIKeyVMLLVIPMWGVKMB-UHFFFAOYSA-N
XLogP1.47
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137314025
2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 167768772
(5Z)-5-[[4-[2-(4-oxo-3H-quinazolin-2-yl)ethylamino]-1,3,5-triazin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 136999977
3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
CID 137079359
formic acid;2-[2-[(6-propan-2-ylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
CID 154916800
2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135984772
2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
CID 137136922
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
CID 31075696
5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide
CID 136767933
2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 135990818
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 136538485

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one (CID 135915486) is 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one is Cc1cnc(NCCc2nc3ccccc3c(=O)[nH]2)nc1-c1ncnn1C.
What is the InChIKey of 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is VMLLVIPMWGVKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-11-9-20-18(25-15(11)16-21-10-22-26(16)2)19-8-7-14-23-13-6-4-3-5-12(13)17(27)24-14/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,25)(H,23,24,27).
What are the key properties of 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one?
2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 362.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135915486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).