N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine

C13H18IN3 — CID 116648985

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
SMILESCN(CC1CC2CCC1C2)c1ncc(I)cn1
InChIInChI=1S/C13H18IN3/c1-17(13-15-6-12(14)7-16-13)8-11-5-9-2-3-10(11)4-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyDQHLHUFZMHABGG-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.95
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine (PubChem CID 116648985) has the molecular formula C13H18IN3 and a molecular weight of 343.21 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
PubChem CID116648985
Molecular FormulaC13H18IN3
Molecular Weight343.21 g/mol
Exact Mass343.05
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
SMILESCN(CC1CC2CCC1C2)c1ncc(I)cn1
InChIInChI=1S/C13H18IN3/c1-17(13-15-6-12(14)7-16-13)8-11-5-9-2-3-10(11)4-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyDQHLHUFZMHABGG-UHFFFAOYSA-N
XLogP2.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372861
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine
CID 103518149
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
CID 65491102
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine
CID 63686843
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine
CID 104534658
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906760
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818030
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107380276
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine
CID 63681809
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80834687
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
CID 104506859
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63685736

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine (CID 116648985) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine is CN(CC1CC2CCC1C2)c1ncc(I)cn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine?
The InChIKey is DQHLHUFZMHABGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3/c1-17(13-15-6-12(14)7-16-13)8-11-5-9-2-3-10(11)4-9/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine has a molecular weight of 343.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine is sourced from PubChem (CID 116648985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).