5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C11H11IN4 — CID 66340183

IUPAC5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1ccccn1)c1ncncc1I
InChIInChI=1S/C11H11IN4/c1-16(7-9-4-2-3-5-14-9)11-10(12)6-13-8-15-11/h2-6,8H,7H2,1H3
InChIKeyIAQDQUYXQHIYFU-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.11
Rot. Bonds3

About 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66340183) has the molecular formula C11H11IN4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID66340183
Molecular FormulaC11H11IN4
Molecular Weight326.14 g/mol
Exact Mass326.00
IUPAC Name5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1ccccn1)c1ncncc1I
InChIInChI=1S/C11H11IN4/c1-16(7-9-4-2-3-5-14-9)11-10(12)6-13-8-15-11/h2-6,8H,7H2,1H3
InChIKeyIAQDQUYXQHIYFU-UHFFFAOYSA-N
XLogP2.11
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 79918710
N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 65418233
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66335136
N,7-dimethyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 171328912
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 66340183) is 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CN(Cc1ccccn1)c1ncncc1I.
What is the InChIKey of 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is IAQDQUYXQHIYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4/c1-16(7-9-4-2-3-5-14-9)11-10(12)6-13-8-15-11/h2-6,8H,7H2,1H3.
What are the key properties of 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 326.14 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66340183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).