2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid

C14H23N3O2 — CID 130218244

IUPAC2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid
SMILESCC1=NC(C)C(C)=C2CC(CN(C)CC(=O)O)CN12
InChIInChI=1S/C14H23N3O2/c1-9-10(2)15-11(3)17-7-12(5-13(9)17)6-16(4)8-14(18)19/h10,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyXZWJIMVHHTZPDH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.42
Rot. Bonds4

About 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid

2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid (PubChem CID 130218244) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid
PubChem CID130218244
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid
SMILESCC1=NC(C)C(C)=C2CC(CN(C)CC(=O)O)CN12
InChIInChI=1S/C14H23N3O2/c1-9-10(2)15-11(3)17-7-12(5-13(9)17)6-16(4)8-14(18)19/h10,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyXZWJIMVHHTZPDH-UHFFFAOYSA-N
XLogP1.42
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid with MolForge

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Related Compounds

N-methyl-N-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
CID 126756564
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid
CID 162475430
2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 155049752
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 50985024
2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043779
2-[methyl-(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]acetic acid
CID 83839010
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965265
2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043734
2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
CID 82538136
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid (CID 130218244) is 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid is CC1=NC(C)C(C)=C2CC(CN(C)CC(=O)O)CN12.
What is the InChIKey of 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid?
The InChIKey is XZWJIMVHHTZPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-10(2)15-11(3)17-7-12(5-13(9)17)6-16(4)8-14(18)19/h10,12H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid?
2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid has a molecular weight of 265.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid is sourced from PubChem (CID 130218244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).