2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid

C8H13N5O2 — CID 82213921

IUPAC2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1cnc(N)nc1N
InChIInChI=1S/C8H13N5O2/c1-13(4-6(14)15)3-5-2-11-8(10)12-7(5)9/h2H,3-4H2,1H3,(H,14,15)(H4,9,10,11,12)
InChIKeyGXGURVBXNDLIBA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.84
Rot. Bonds4

About 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid

2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid (PubChem CID 82213921) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid
PubChem CID82213921
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1cnc(N)nc1N
InChIInChI=1S/C8H13N5O2/c1-13(4-6(14)15)3-5-2-11-8(10)12-7(5)9/h2H,3-4H2,1H3,(H,14,15)(H4,9,10,11,12)
InChIKeyGXGURVBXNDLIBA-UHFFFAOYSA-N
XLogP-0.84
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 87573940
(2,4-diaminopyrimidin-5-yl)methanethiol
CID 141014198
5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine
CID 82213905
2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
CID 82407203
2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
CID 136560023
2-[(2-iodophenyl)methyl-methylamino]acetic acid
CID 66568489
2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
CID 56710868
5-(2-iodoethyl)pyrimidine-2,4-diamine
CID 130205960
2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
CID 123695690
2-hydroxypropane-1,2,3-tricarboxylic acid;5-methylpyrimidine-2,4-diamine
CID 174627972
2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid
CID 167823695
2-[methyl(pyren-1-ylmethyl)amino]acetic acid
CID 86074148

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid (CID 82213921) is 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1cnc(N)nc1N.
What is the InChIKey of 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid?
The InChIKey is GXGURVBXNDLIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13(4-6(14)15)3-5-2-11-8(10)12-7(5)9/h2H,3-4H2,1H3,(H,14,15)(H4,9,10,11,12).
What are the key properties of 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid?
2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 82213921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).