cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid

C13H19N3O3 — CID 138020678

IUPACcis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
SMILESCOCc1nc(C)cc(N[C@@H]2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-8-6-11(16-12(14-8)7-19-2)15-10-5-3-4-9(10)13(17)18/h6,9-10H,3-5,7H2,1-2H3,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1
InChIKeyWGNQTKVPAVOESP-VHSXEESVSA-N
MW265.31 g/mol
LogP1.60
Rot. Bonds5

About cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid (PubChem CID 138020678) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
PubChem CID138020678
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namecis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
SMILESCOCc1nc(C)cc(N[C@@H]2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-8-6-11(16-12(14-8)7-19-2)15-10-5-3-4-9(10)13(17)18/h6,9-10H,3-5,7H2,1-2H3,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1
InChIKeyWGNQTKVPAVOESP-VHSXEESVSA-N
XLogP1.60
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
CID 97223315
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
CID 122061382
N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133417857
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
[2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106367984
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 133412286
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 136529582
1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417652
2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 65416448
methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate
CID 66285279

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid (CID 138020678) is cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid is COCc1nc(C)cc(N[C@@H]2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WGNQTKVPAVOESP-VHSXEESVSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-6-11(16-12(14-8)7-19-2)15-10-5-3-4-9(10)13(17)18/h6,9-10H,3-5,7H2,1-2H3,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 138020678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).