1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine

C13H13IN4 — CID 66320288

IUPAC1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESNC1Cc2ccccc2C1Nc1ncncc1I
InChIInChI=1S/C13H13IN4/c14-10-6-16-7-17-13(10)18-12-9-4-2-1-3-8(9)5-11(12)15/h1-4,6-7,11-12H,5,15H2,(H,16,17,18)
InChIKeyKUGQMJPKBYOGAZ-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.12
Rot. Bonds2

About 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine

1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 66320288) has the molecular formula C13H13IN4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID66320288
Molecular FormulaC13H13IN4
Molecular Weight352.18 g/mol
Exact Mass352.02
IUPAC Name1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESNC1Cc2ccccc2C1Nc1ncncc1I
InChIInChI=1S/C13H13IN4/c14-10-6-16-7-17-13(10)18-12-9-4-2-1-3-8(9)5-11(12)15/h1-4,6-7,11-12H,5,15H2,(H,16,17,18)
InChIKeyKUGQMJPKBYOGAZ-UHFFFAOYSA-N
XLogP2.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 178121485
1-N-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63759429
4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66341197
1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 115355772
1-N-(methylsulfamoyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 114812781
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63761795
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137008415
(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 47371181
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
(2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine
CID 59083190

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine (CID 66320288) is 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine is NC1Cc2ccccc2C1Nc1ncncc1I.
What is the InChIKey of 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is KUGQMJPKBYOGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN4/c14-10-6-16-7-17-13(10)18-12-9-4-2-1-3-8(9)5-11(12)15/h1-4,6-7,11-12H,5,15H2,(H,16,17,18).
What are the key properties of 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine?
1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 352.18 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 66320288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).