4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid

C9H11IN4O2 — CID 150512037

IUPAC4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncncc2I)CC1
InChIInChI=1S/C9H11IN4O2/c10-7-5-11-6-12-8(7)13-1-3-14(4-2-13)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyIABBDVRJCUOLLD-UHFFFAOYSA-N
MW334.12 g/mol
LogP0.88
Rot. Bonds1

About 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid

4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid (PubChem CID 150512037) has the molecular formula C9H11IN4O2 and a molecular weight of 334.12 g/mol. Its IUPAC name is 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid
PubChem CID150512037
Molecular FormulaC9H11IN4O2
Molecular Weight334.12 g/mol
Exact Mass333.99
IUPAC Name4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncncc2I)CC1
InChIInChI=1S/C9H11IN4O2/c10-7-5-11-6-12-8(7)13-1-3-14(4-2-13)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyIABBDVRJCUOLLD-UHFFFAOYSA-N
XLogP0.88
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(5-iodopyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 66320868
4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid
CID 166794104
5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 65418435
5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 67539377
3-(5-iodopyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 66319531
7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095260
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863184
4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707660
4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid
CID 87383897
4-(5-bromopyrimidin-4-yl)-1,4-diazepane-1-carboxamide
CID 146090139
4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 102745301

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid (CID 150512037) is 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ncncc2I)CC1.
What is the InChIKey of 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is IABBDVRJCUOLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4O2/c10-7-5-11-6-12-8(7)13-1-3-14(4-2-13)9(15)16/h5-6H,1-4H2,(H,15,16).
What are the key properties of 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid?
4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 334.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 150512037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).