2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid

C6H7ClN4O2 — CID 83869056

IUPAC2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid
SMILESNc1nc(N)c(Cl)c(CC(=O)O)n1
InChIInChI=1S/C6H7ClN4O2/c7-4-2(1-3(12)13)10-6(9)11-5(4)8/h1H2,(H,12,13)(H4,8,9,10,11)
InChIKeyJPXZYCRHPOGGRA-UHFFFAOYSA-N
MW202.60 g/mol
LogP-0.08
Rot. Bonds2

About 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid

2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid (PubChem CID 83869056) has the molecular formula C6H7ClN4O2 and a molecular weight of 202.60 g/mol. Its IUPAC name is 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid
PubChem CID83869056
Molecular FormulaC6H7ClN4O2
Molecular Weight202.60 g/mol
Exact Mass202.03
IUPAC Name2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid
SMILESNc1nc(N)c(Cl)c(CC(=O)O)n1
InChIInChI=1S/C6H7ClN4O2/c7-4-2(1-3(12)13)10-6(9)11-5(4)8/h1H2,(H,12,13)(H4,8,9,10,11)
InChIKeyJPXZYCRHPOGGRA-UHFFFAOYSA-N
XLogP-0.08
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid
CID 45071760
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-(5-amino-2H-triazol-4-yl)acetic acid
CID 154204437
2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid
CID 105476978
2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087361
2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
CID 83867143
5-benzyl-6-chloropyrimidine-2,4-diamine
CID 45071766
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
2-(3-amino-2-chloro-4-fluorophenyl)acetic acid
CID 171033959
2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 83777548
azane;carbonic acid;1,3,5-triazine-2,4,6-triamine
CID 174964625

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid (CID 83869056) is 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid is Nc1nc(N)c(Cl)c(CC(=O)O)n1.
What is the InChIKey of 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid?
The InChIKey is JPXZYCRHPOGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O2/c7-4-2(1-3(12)13)10-6(9)11-5(4)8/h1H2,(H,12,13)(H4,8,9,10,11).
What are the key properties of 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid?
2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid has a molecular weight of 202.60 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83869056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).