2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

C15H21N7O — CID 137247988

IUPAC2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nnc(N2CCC(c3cc(=O)[nH]c(N(C)C)n3)C2)nc1C
InChIInChI=1S/C15H21N7O/c1-9-10(2)19-20-15(16-9)22-6-5-11(8-22)12-7-13(23)18-14(17-12)21(3)4/h7,11H,5-6,8H2,1-4H3,(H,17,18,23)
InChIKeyYYJNGZSEXBKIEI-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.63
Rot. Bonds3

About 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 137247988) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID137247988
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nnc(N2CCC(c3cc(=O)[nH]c(N(C)C)n3)C2)nc1C
InChIInChI=1S/C15H21N7O/c1-9-10(2)19-20-15(16-9)22-6-5-11(8-22)12-7-13(23)18-14(17-12)21(3)4/h7,11H,5-6,8H2,1-4H3,(H,17,18,23)
InChIKeyYYJNGZSEXBKIEI-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 137247988) is 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is Cc1nnc(N2CCC(c3cc(=O)[nH]c(N(C)C)n3)C2)nc1C.
What is the InChIKey of 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is YYJNGZSEXBKIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-9-10(2)19-20-15(16-9)22-6-5-11(8-22)12-7-13(23)18-14(17-12)21(3)4/h7,11H,5-6,8H2,1-4H3,(H,17,18,23).
What are the key properties of 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 315.38 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137247988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).