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

C15H20N6O — CID 135990264

IUPAC4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc2c(c(NCc3cc(=O)[nH]cn3)n1)CCCC2
InChIInChI=1S/C15H20N6O/c1-21(2)15-19-12-6-4-3-5-11(12)14(20-15)16-8-10-7-13(22)18-9-17-10/h7,9H,3-6,8H2,1-2H3,(H,16,19,20)(H,17,18,22)
InChIKeyGVQBPKYCSMHYMA-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.12
Rot. Bonds4

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

4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one (PubChem CID 135990264) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one
PubChem CID135990264
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc2c(c(NCc3cc(=O)[nH]cn3)n1)CCCC2
InChIInChI=1S/C15H20N6O/c1-21(2)15-19-12-6-4-3-5-11(12)14(20-15)16-8-10-7-13(22)18-9-17-10/h7,9H,3-6,8H2,1-2H3,(H,16,19,20)(H,17,18,22)
InChIKeyGVQBPKYCSMHYMA-UHFFFAOYSA-N
XLogP1.12
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one (CID 135990264) is 4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one is CN(C)c1nc2c(c(NCc3cc(=O)[nH]cn3)n1)CCCC2.
What is the InChIKey of 4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one?
The InChIKey is GVQBPKYCSMHYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-21(2)15-19-12-6-4-3-5-11(12)14(20-15)16-8-10-7-13(22)18-9-17-10/h7,9H,3-6,8H2,1-2H3,(H,16,19,20)(H,17,18,22).
What are the key properties of 4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one?
4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one has a molecular weight of 300.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135990264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).