2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one

C19H20N6O — CID 154770794

IUPAC2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCCc1c[nH]c2ncnc(N(CC)Cc3nc4ccccc4c(=O)[nH]3)c12
InChIInChI=1S/C19H20N6O/c1-3-12-9-20-17-16(12)18(22-11-21-17)25(4-2)10-15-23-14-8-6-5-7-13(14)19(26)24-15/h5-9,11H,3-4,10H2,1-2H3,(H,20,21,22)(H,23,24,26)
InChIKeyGPZKCXRKEVRNTR-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.78
Rot. Bonds5

About 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one

2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 154770794) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
PubChem CID154770794
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCCc1c[nH]c2ncnc(N(CC)Cc3nc4ccccc4c(=O)[nH]3)c12
InChIInChI=1S/C19H20N6O/c1-3-12-9-20-17-16(12)18(22-11-21-17)25(4-2)10-15-23-14-8-6-5-7-13(14)19(26)24-15/h5-9,11H,3-4,10H2,1-2H3,(H,20,21,22)(H,23,24,26)
InChIKeyGPZKCXRKEVRNTR-UHFFFAOYSA-N
XLogP2.78
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile
CID 137248323
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-[[ethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]-3H-quinazolin-4-one
CID 137272373
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid
CID 135991285
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one
CID 137062638

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one (CID 154770794) is 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one is CCc1c[nH]c2ncnc(N(CC)Cc3nc4ccccc4c(=O)[nH]3)c12.
What is the InChIKey of 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is GPZKCXRKEVRNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-3-12-9-20-17-16(12)18(22-11-21-17)25(4-2)10-15-23-14-8-6-5-7-13(14)19(26)24-15/h5-9,11H,3-4,10H2,1-2H3,(H,20,21,22)(H,23,24,26).
What are the key properties of 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one?
2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 348.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 154770794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).