2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid

C13H20N4O2 — CID 122563476

IUPAC2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid
SMILESCC1CCCN1Cc1cnc(N(C)CC(=O)O)nc1
InChIInChI=1S/C13H20N4O2/c1-10-4-3-5-17(10)8-11-6-14-13(15-7-11)16(2)9-12(18)19/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyGKCFAPAAQCQPDQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.98
Rot. Bonds5

About 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid

2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid (PubChem CID 122563476) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid
PubChem CID122563476
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid
SMILESCC1CCCN1Cc1cnc(N(C)CC(=O)O)nc1
InChIInChI=1S/C13H20N4O2/c1-10-4-3-5-17(10)8-11-6-14-13(15-7-11)16(2)9-12(18)19/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyGKCFAPAAQCQPDQ-UHFFFAOYSA-N
XLogP0.98
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 125441039
2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 125445921
2-[[5-[[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methyl]pyrimidin-2-yl]-methylamino]acetic acid
CID 99952424
2-[[5-[[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]-methylamino]acetic acid
CID 139599486
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
2-[[5-[[cyclohexyl(ethyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid
CID 122566238
2-[methyl-[5-[[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 77090248
2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 107740241
3-[(2-methylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639879
methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
N-[2-[(2R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
CID 92632162
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid (CID 122563476) is 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid is CC1CCCN1Cc1cnc(N(C)CC(=O)O)nc1.
What is the InChIKey of 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid?
The InChIKey is GKCFAPAAQCQPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-4-3-5-17(10)8-11-6-14-13(15-7-11)16(2)9-12(18)19/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid?
2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid has a molecular weight of 264.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 122563476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).