2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid

C12H15N5O2 — CID 99980296

IUPAC2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCc1cc(C)n(-c2cc(N(C)CC(=O)O)ncn2)n1
InChIInChI=1S/C12H15N5O2/c1-8-4-9(2)17(15-8)11-5-10(13-7-14-11)16(3)6-12(18)19/h4-5,7H,6H2,1-3H3,(H,18,19)
InChIKeyBWDSHGBIGFNSDO-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.80
Rot. Bonds4

About 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid

2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid (PubChem CID 99980296) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid
PubChem CID99980296
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCc1cc(C)n(-c2cc(N(C)CC(=O)O)ncn2)n1
InChIInChI=1S/C12H15N5O2/c1-8-4-9(2)17(15-8)11-5-10(13-7-14-11)16(3)6-12(18)19/h4-5,7H,6H2,1-3H3,(H,18,19)
InChIKeyBWDSHGBIGFNSDO-UHFFFAOYSA-N
XLogP0.80
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid (CID 99980296) is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid is Cc1cc(C)n(-c2cc(N(C)CC(=O)O)ncn2)n1.
What is the InChIKey of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid?
The InChIKey is BWDSHGBIGFNSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-4-9(2)17(15-8)11-5-10(13-7-14-11)16(3)6-12(18)19/h4-5,7H,6H2,1-3H3,(H,18,19).
What are the key properties of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid?
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid has a molecular weight of 261.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 99980296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).