2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid

C14H20N4O2 — CID 65496738

IUPAC2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CN2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C14H20N4O2/c19-12(20)10-14(2-3-14)11-17-6-8-18(9-7-17)13-15-4-1-5-16-13/h1,4-5H,2-3,6-11H2,(H,19,20)
InChIKeyJYMYIZKKRQHYOR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.85
Rot. Bonds5

About 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 65496738) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID65496738
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CN2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C14H20N4O2/c19-12(20)10-14(2-3-14)11-17-6-8-18(9-7-17)13-15-4-1-5-16-13/h1,4-5H,2-3,6-11H2,(H,19,20)
InChIKeyJYMYIZKKRQHYOR-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol
CID 111976492
[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270019
[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
CID 62262303
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141454
oxalic acid;4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]ethyl]cyclopentyl]acetate
CID 129318583
4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]ethyl]cyclopentyl]acetate;dihydrochloride
CID 175673873
3,3,3-trifluoro-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]propanoic acid
CID 80997447
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-[(2-methyloxan-2-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane;bis(2,2,2-trifluoroacetic acid)
CID 171321301
2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159461

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid (CID 65496738) is 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid is O=C(O)CC1(CN2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is JYMYIZKKRQHYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-12(20)10-14(2-3-14)11-17-6-8-18(9-7-17)13-15-4-1-5-16-13/h1,4-5H,2-3,6-11H2,(H,19,20).
What are the key properties of 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65496738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).