4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one

C17H24N6O — CID 135858718

IUPAC4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(CCNc2nc(N(C)C)nc3c2CCCC3)cc(=O)[nH]1
InChIInChI=1S/C17H24N6O/c1-11-19-12(10-15(24)20-11)8-9-18-16-13-6-4-5-7-14(13)21-17(22-16)23(2)3/h10H,4-9H2,1-3H3,(H,18,21,22)(H,19,20,24)
InChIKeyWRIGARAGNFHJGV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.47
Rot. Bonds5

About 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one

4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 135858718) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID135858718
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(CCNc2nc(N(C)C)nc3c2CCCC3)cc(=O)[nH]1
InChIInChI=1S/C17H24N6O/c1-11-19-12(10-15(24)20-11)8-9-18-16-13-6-4-5-7-14(13)21-17(22-16)23(2)3/h10H,4-9H2,1-3H3,(H,18,21,22)(H,19,20,24)
InChIKeyWRIGARAGNFHJGV-UHFFFAOYSA-N
XLogP1.47
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one (CID 135858718) is 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(CCNc2nc(N(C)C)nc3c2CCCC3)cc(=O)[nH]1.
What is the InChIKey of 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WRIGARAGNFHJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-19-12(10-15(24)20-11)8-9-18-16-13-6-4-5-7-14(13)21-17(22-16)23(2)3/h10H,4-9H2,1-3H3,(H,18,21,22)(H,19,20,24).
What are the key properties of 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one?
4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 328.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135858718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).