1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid

C13H19N3O2 — CID 115450378

IUPAC1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NCC2(C(=O)O)CC2)nc(C(C)C)n1
InChIInChI=1S/C13H19N3O2/c1-8(2)11-15-9(3)6-10(16-11)14-7-13(4-5-13)12(17)18/h6,8H,4-5,7H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyVBPQTPGXTUDKNF-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds5

About 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450378) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450378
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NCC2(C(=O)O)CC2)nc(C(C)C)n1
InChIInChI=1S/C13H19N3O2/c1-8(2)11-15-9(3)6-10(16-11)14-7-13(4-5-13)12(17)18/h6,8H,4-5,7H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyVBPQTPGXTUDKNF-UHFFFAOYSA-N
XLogP2.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

4-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 61290121
6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80527909
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563
1-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107543146
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 64541513
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 106097339
1-[(2-methyl-5-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242747

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115450378) is 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1cc(NCC2(C(=O)O)CC2)nc(C(C)C)n1.
What is the InChIKey of 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is VBPQTPGXTUDKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)11-15-9(3)6-10(16-11)14-7-13(4-5-13)12(17)18/h6,8H,4-5,7H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).