6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H21N7O — CID 137275989

IUPAC6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1nc(N(C)C)nc(N2CCc3nc[nH]c(=O)c3C2)n1
InChIInChI=1S/C15H21N7O/c1-9(2)12-18-14(21(3)4)20-15(19-12)22-6-5-11-10(7-22)13(23)17-8-16-11/h8-9H,5-7H2,1-4H3,(H,16,17,23)
InChIKeyOKKWBJNNIFMGKO-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.71
Rot. Bonds3

About 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137275989) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137275989
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1nc(N(C)C)nc(N2CCc3nc[nH]c(=O)c3C2)n1
InChIInChI=1S/C15H21N7O/c1-9(2)12-18-14(21(3)4)20-15(19-12)22-6-5-11-10(7-22)13(23)17-8-16-11/h8-9H,5-7H2,1-4H3,(H,16,17,23)
InChIKeyOKKWBJNNIFMGKO-UHFFFAOYSA-N
XLogP0.71
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137275989) is 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)c1nc(N(C)C)nc(N2CCc3nc[nH]c(=O)c3C2)n1.
What is the InChIKey of 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OKKWBJNNIFMGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-9(2)12-18-14(21(3)4)20-15(19-12)22-6-5-11-10(7-22)13(23)17-8-16-11/h8-9H,5-7H2,1-4H3,(H,16,17,23).
What are the key properties of 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 315.38 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137275989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).