6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one

C14H15N5O — CID 71012679

IUPAC6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one
SMILESCc1c2ccc(N(C)c3ccnc(=O)[nH]3)cc2nn1C
InChIInChI=1S/C14H15N5O/c1-9-11-5-4-10(8-12(11)17-19(9)3)18(2)13-6-7-15-14(20)16-13/h4-8H,1-3H3,(H,15,16,20)
InChIKeyHRQJFPPKPZPSRA-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.73
Rot. Bonds2

About 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one

6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one (PubChem CID 71012679) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one
PubChem CID71012679
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one
SMILESCc1c2ccc(N(C)c3ccnc(=O)[nH]3)cc2nn1C
InChIInChI=1S/C14H15N5O/c1-9-11-5-4-10(8-12(11)17-19(9)3)18(2)13-6-7-15-14(20)16-13/h4-8H,1-3H3,(H,15,16,20)
InChIKeyHRQJFPPKPZPSRA-UHFFFAOYSA-N
XLogP1.73
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one (CID 71012679) is 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one is Cc1c2ccc(N(C)c3ccnc(=O)[nH]3)cc2nn1C.
What is the InChIKey of 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one?
The InChIKey is HRQJFPPKPZPSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-11-5-4-10(8-12(11)17-19(9)3)18(2)13-6-7-15-14(20)16-13/h4-8H,1-3H3,(H,15,16,20).
What are the key properties of 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one?
6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylindazol-6-yl)-methylamino]-1H-pyrimidin-2-one is sourced from PubChem (CID 71012679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).