2-(4H-pyrimidin-1-yl)acetic acid

C6H8N2O2 — CID 67541125

IUPAC2-(4H-pyrimidin-1-yl)acetic acid
SMILESO=C(O)CN1C=CCN=C1
InChIInChI=1S/C6H8N2O2/c9-6(10)4-8-3-1-2-7-5-8/h1,3,5H,2,4H2,(H,9,10)
InChIKeyNLJTUDKPZURVNI-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.07
Rot. Bonds2

About 2-(4H-pyrimidin-1-yl)acetic acid

2-(4H-pyrimidin-1-yl)acetic acid (PubChem CID 67541125) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(4H-pyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4H-pyrimidin-1-yl)acetic acid
PubChem CID67541125
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(4H-pyrimidin-1-yl)acetic acid
SMILESO=C(O)CN1C=CCN=C1
InChIInChI=1S/C6H8N2O2/c9-6(10)4-8-3-1-2-7-5-8/h1,3,5H,2,4H2,(H,9,10)
InChIKeyNLJTUDKPZURVNI-UHFFFAOYSA-N
XLogP-0.07
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2Z,5Z,8Z,11Z)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododeca-2,5,8,11-tetraen-1-yl]acetic acid
CID 141341834
2-[1-(carboxymethyl)-2,4-dihydro-1,3,5-triazin-3-yl]acetic acid
CID 54357780
2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid
CID 102508547
2-(3-hydroxyazetidin-1-yl)acetic acid
CID 63282398
2-[4-(carboxymethyl)-2,3-dioxopyrazin-1-yl]acetic acid
CID 95916407
2-[(5E,8Z,11Z)-4,7-bis(carboxymethyl)-10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododeca-5,8,11-trien-1-yl]acetic acid
CID 134129082
2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid
CID 126419139
2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid
CID 57240918
2-(3-ethyl-2H-imidazol-1-yl)acetic acid
CID 89172390
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-aminoacetic acid;cyclohexa-1,4-diene
CID 174749922
2-(5-hydroxyimidazol-1-yl)acetic acid
CID 68719528

Frequently Asked Questions

What is the IUPAC name of 2-(4H-pyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(4H-pyrimidin-1-yl)acetic acid (CID 67541125) is 2-(4H-pyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4H-pyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(4H-pyrimidin-1-yl)acetic acid is O=C(O)CN1C=CCN=C1.
What is the InChIKey of 2-(4H-pyrimidin-1-yl)acetic acid?
The InChIKey is NLJTUDKPZURVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-6(10)4-8-3-1-2-7-5-8/h1,3,5H,2,4H2,(H,9,10).
What are the key properties of 2-(4H-pyrimidin-1-yl)acetic acid?
2-(4H-pyrimidin-1-yl)acetic acid has a molecular weight of 140.14 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-pyrimidin-1-yl)acetic acid is sourced from PubChem (CID 67541125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).