(4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone

C20H19IN6O — CID 122349291

IUPAC(4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(I)cc1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C20H19IN6O/c21-16-6-4-15(5-7-16)20(28)27-11-9-26(10-12-27)19-13-18(23-14-24-19)25-17-3-1-2-8-22-17/h1-8,13-14H,9-12H2,(H,22,23,24,25)
InChIKeyOPWAFSWVZGWDOV-UHFFFAOYSA-N
MW486.32 g/mol
LogP3.18
Rot. Bonds4

About (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone

(4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122349291) has the molecular formula C20H19IN6O and a molecular weight of 486.32 g/mol. Its IUPAC name is (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID122349291
Molecular FormulaC20H19IN6O
Molecular Weight486.32 g/mol
Exact Mass486.07
IUPAC Name(4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(I)cc1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C20H19IN6O/c21-16-6-4-15(5-7-16)20(28)27-11-9-26(10-12-27)19-13-18(23-14-24-19)25-17-3-1-2-8-22-17/h1-8,13-14H,9-12H2,(H,22,23,24,25)
InChIKeyOPWAFSWVZGWDOV-UHFFFAOYSA-N
XLogP3.18
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348910
(5-bromo-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349064
3-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349108
(2-fluorophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348922
2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 122348904
2,3-dihydro-1,4-benzodioxin-5-yl-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349143
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349110
(4-iodophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350540
4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122349281
4-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349528
N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348977
[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 122349180

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 122349291) is (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(c1ccc(I)cc1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1.
What is the InChIKey of (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is OPWAFSWVZGWDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19IN6O/c21-16-6-4-15(5-7-16)20(28)27-11-9-26(10-12-27)19-13-18(23-14-24-19)25-17-3-1-2-8-22-17/h1-8,13-14H,9-12H2,(H,22,23,24,25).
What are the key properties of (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
(4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 486.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122349291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).