N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine

C11H17IN4 — CID 114504858

IUPACN-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine
SMILESCC1CN(C)CCC1Nc1ncncc1I
InChIInChI=1S/C11H17IN4/c1-8-6-16(2)4-3-10(8)15-11-9(12)5-13-7-14-11/h5,7-8,10H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyOBTMDEPEZIGXHT-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.83
Rot. Bonds2

About N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine

N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine (PubChem CID 114504858) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine
PubChem CID114504858
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine
SMILESCC1CN(C)CCC1Nc1ncncc1I
InChIInChI=1S/C11H17IN4/c1-8-6-16(2)4-3-10(8)15-11-9(12)5-13-7-14-11/h5,7-8,10H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyOBTMDEPEZIGXHT-UHFFFAOYSA-N
XLogP1.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.83
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

4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine
CID 114506446
5-iodo-N-(2-methylthiolan-3-yl)pyrimidin-4-amine
CID 130655835
4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine
CID 114506491
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 114506749
3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
CID 115605254
4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110333
N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66343239
4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66341197
5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 114506528
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66339901
N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 66341278

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine (CID 114504858) is N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine is CC1CN(C)CCC1Nc1ncncc1I.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine?
The InChIKey is OBTMDEPEZIGXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-8-6-16(2)4-3-10(8)15-11-9(12)5-13-7-14-11/h5,7-8,10H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine?
N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine has a molecular weight of 332.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 114504858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).