6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine

C19H25IN6O2 — CID 22528376

IUPAC6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCC1(C)CC(Nc2ncnc(Nc3ccc(I)cc3)c2[N+](=O)[O-])CC(C)(C)N1
InChIInChI=1S/C19H25IN6O2/c1-18(2)9-14(10-19(3,4)25-18)24-17-15(26(27)28)16(21-11-22-17)23-13-7-5-12(20)6-8-13/h5-8,11,14,25H,9-10H2,1-4H3,(H2,21,22,23,24)
InChIKeyWUODOZCVTJTBPL-UHFFFAOYSA-N
MW496.35 g/mol
LogP4.45
Rot. Bonds5

About 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine

6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine (PubChem CID 22528376) has the molecular formula C19H25IN6O2 and a molecular weight of 496.35 g/mol. Its IUPAC name is 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
PubChem CID22528376
Molecular FormulaC19H25IN6O2
Molecular Weight496.35 g/mol
Exact Mass496.11
IUPAC Name6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCC1(C)CC(Nc2ncnc(Nc3ccc(I)cc3)c2[N+](=O)[O-])CC(C)(C)N1
InChIInChI=1S/C19H25IN6O2/c1-18(2)9-14(10-19(3,4)25-18)24-17-15(26(27)28)16(21-11-22-17)23-13-7-5-12(20)6-8-13/h5-8,11,14,25H,9-10H2,1-4H3,(H2,21,22,23,24)
InChIKeyWUODOZCVTJTBPL-UHFFFAOYSA-N
XLogP4.45
TPSA105.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-N-(4-butoxyphenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 23495092
5-nitro-6-N-quinolin-5-yl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 22528430
2-(4-nitrophenyl)-N'-[5-nitro-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]acetohydrazide
CID 22528417
5-nitro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135585560
5-nitro-6-N-(2-piperidin-1-ylethyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 22526030
4-N-benzyl-4-N-methyl-5-nitro-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 23477993
4-N-(2-ethylphenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine
CID 23482685
5-nitro-6-(4-propan-2-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 23490659
6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145827
6-N-(4-iodophenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 22526362
4-N-cycloheptyl-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 23486634
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 22528361

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine (CID 22528376) is 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine is CC1(C)CC(Nc2ncnc(Nc3ccc(I)cc3)c2[N+](=O)[O-])CC(C)(C)N1.
What is the InChIKey of 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine?
The InChIKey is WUODOZCVTJTBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25IN6O2/c1-18(2)9-14(10-19(3,4)25-18)24-17-15(26(27)28)16(21-11-22-17)23-13-7-5-12(20)6-8-13/h5-8,11,14,25H,9-10H2,1-4H3,(H2,21,22,23,24).
What are the key properties of 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine?
6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine has a molecular weight of 496.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 22528376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).