1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid

C12H17FN4O2 — CID 137343680

IUPAC1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C)c1nc(NC2(C(=O)O)CCCC2)ncc1F
InChIInChI=1S/C12H17FN4O2/c1-17(2)9-8(13)7-14-11(15-9)16-12(10(18)19)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyXPIWTOMGJNGXBF-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.49
Rot. Bonds4

About 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid

1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid (PubChem CID 137343680) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid
PubChem CID137343680
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C)c1nc(NC2(C(=O)O)CCCC2)ncc1F
InChIInChI=1S/C12H17FN4O2/c1-17(2)9-8(13)7-14-11(15-9)16-12(10(18)19)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyXPIWTOMGJNGXBF-UHFFFAOYSA-N
XLogP1.49
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid (CID 137343680) is 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid is CN(C)c1nc(NC2(C(=O)O)CCCC2)ncc1F.
What is the InChIKey of 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XPIWTOMGJNGXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c1-17(2)9-8(13)7-14-11(15-9)16-12(10(18)19)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,18,19)(H,14,15,16).
What are the key properties of 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid?
1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 137343680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).