2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid

C17H21N5O3 — CID 56768552

IUPAC2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid
SMILESCOCc1cc(N2CCN(CC(=O)O)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H21N5O3/c1-25-12-14-10-15(20-17(19-14)13-2-4-18-5-3-13)22-8-6-21(7-9-22)11-16(23)24/h2-5,10H,6-9,11-12H2,1H3,(H,23,24)
InChIKeyVUZUZGLBLQEZBR-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.89
Rot. Bonds6

About 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid

2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid (PubChem CID 56768552) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid
PubChem CID56768552
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid
SMILESCOCc1cc(N2CCN(CC(=O)O)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H21N5O3/c1-25-12-14-10-15(20-17(19-14)13-2-4-18-5-3-13)22-8-6-21(7-9-22)11-16(23)24/h2-5,10H,6-9,11-12H2,1H3,(H,23,24)
InChIKeyVUZUZGLBLQEZBR-UHFFFAOYSA-N
XLogP0.89
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767437
2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768570
2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 71564572
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 71564077
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
2-[4-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768572
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295060
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-1,4-diazepane
CID 71564074
[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 133314479
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
1-[6-(methoxymethyl)-2-(4-methylphenyl)pyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 56767688

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid (CID 56768552) is 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid is COCc1cc(N2CCN(CC(=O)O)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid?
The InChIKey is VUZUZGLBLQEZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-25-12-14-10-15(20-17(19-14)13-2-4-18-5-3-13)22-8-6-21(7-9-22)11-16(23)24/h2-5,10H,6-9,11-12H2,1H3,(H,23,24).
What are the key properties of 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid?
2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid has a molecular weight of 343.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 56768552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).