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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Related Compounds

2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 133273908
6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine
CID 100640999
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
CID 122059582
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66333585
2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
CID 119172398
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-pyrrol-1-ylacetamide
CID 122289698
2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848396
2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848240
[4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122337494
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991
N-benzyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-phenylazetidine-3-carboxamide
CID 121168993

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).