2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid

C10H12FN3O2 — CID 104605859

IUPAC2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O2/c11-8-3-12-10(13-4-8)14(6-9(15)16)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyCBHBGYDISKOBII-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.92
Rot. Bonds5

About 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid

2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid (PubChem CID 104605859) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid
PubChem CID104605859
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O2/c11-8-3-12-10(13-4-8)14(6-9(15)16)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyCBHBGYDISKOBII-UHFFFAOYSA-N
XLogP0.92
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetic acid
CID 114045489
2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid
CID 43656331
2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
CID 64831223
2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
CID 62359121
1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea
CID 170237635
2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid
CID 43656381
2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
CID 80758602
2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66331762
2-[cyclopropylmethyl-[3-[(7-fluoroisoquinolin-1-yl)amino]cyclobutyl]amino]acetic acid
CID 122061484
2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
CID 43656383
2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid
CID 63588247
tert-butyl 2-[cyclopropylmethyl-(5-nitropyrimidin-2-yl)amino]acetate
CID 126819884

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid (CID 104605859) is 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid is O=C(O)CN(CC1CC1)c1ncc(F)cn1.
What is the InChIKey of 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid?
The InChIKey is CBHBGYDISKOBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-8-3-12-10(13-4-8)14(6-9(15)16)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid?
2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid has a molecular weight of 225.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 104605859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).