5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C12H13IN4 — CID 154785251

IUPAC5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1ncc(I)c(N(C)Cc2cccnc2)n1
InChIInChI=1S/C12H13IN4/c1-9-15-7-11(13)12(16-9)17(2)8-10-4-3-5-14-6-10/h3-7H,8H2,1-2H3
InChIKeyCVGBJYBFOOYHGJ-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.42
Rot. Bonds3

About 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 154785251) has the molecular formula C12H13IN4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID154785251
Molecular FormulaC12H13IN4
Molecular Weight340.17 g/mol
Exact Mass340.02
IUPAC Name5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1ncc(I)c(N(C)Cc2cccnc2)n1
InChIInChI=1S/C12H13IN4/c1-9-15-7-11(13)12(16-9)17(2)8-10-4-3-5-14-6-10/h3-7H,8H2,1-2H3
InChIKeyCVGBJYBFOOYHGJ-UHFFFAOYSA-N
XLogP2.42
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.42
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

[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 79076488
4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80787782
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
[4,6-dimethyl-2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61256043
6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80970738
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
2-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbothioamide
CID 43563703
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 154785251) is 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Cc1ncc(I)c(N(C)Cc2cccnc2)n1.
What is the InChIKey of 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is CVGBJYBFOOYHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4/c1-9-15-7-11(13)12(16-9)17(2)8-10-4-3-5-14-6-10/h3-7H,8H2,1-2H3.
What are the key properties of 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 340.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 154785251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).