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

C7H10N4O2 — CID 45071760

IUPAC2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid
SMILESCc1nc(N)nc(N)c1CC(=O)O
InChIInChI=1S/C7H10N4O2/c1-3-4(2-5(12)13)6(8)11-7(9)10-3/h2H2,1H3,(H,12,13)(H4,8,9,10,11)
InChIKeyPAWTWNJXYYKAHG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.42
Rot. Bonds2

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

2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid (PubChem CID 45071760) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid
PubChem CID45071760
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid
SMILESCc1nc(N)nc(N)c1CC(=O)O
InChIInChI=1S/C7H10N4O2/c1-3-4(2-5(12)13)6(8)11-7(9)10-3/h2H2,1H3,(H,12,13)(H4,8,9,10,11)
InChIKeyPAWTWNJXYYKAHG-UHFFFAOYSA-N
XLogP-0.42
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid
CID 83869056
2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 134664300
2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid
CID 83803507
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid
CID 84699425
2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 3728937
2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
CID 83867143
2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 137013046
2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136889966
2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid
CID 84678274
2-[4,6-dimethyl-1-(2-methylsulfonylethyl)-2-oxopyrimidin-5-yl]acetic acid
CID 54934750
2-amino-5,6-dimethylpyrimidine-4-carboxylic acid
CID 83858605

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid (CID 45071760) is 2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid is Cc1nc(N)nc(N)c1CC(=O)O.
What is the InChIKey of 2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid?
The InChIKey is PAWTWNJXYYKAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-3-4(2-5(12)13)6(8)11-7(9)10-3/h2H2,1H3,(H,12,13)(H4,8,9,10,11).
What are the key properties of 2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid?
2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid is sourced from PubChem (CID 45071760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).