N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine

C10H10IN3O — CID 65418233

IUPACN-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ncncc1I
InChIInChI=1S/C10H10IN3O/c1-14(6-8-3-2-4-15-8)10-9(11)5-12-7-13-10/h2-5,7H,6H2,1H3
InChIKeyFIIMLXSGBWHNOS-UHFFFAOYSA-N
MW315.11 g/mol
LogP2.31
Rot. Bonds3

About N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine

N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 65418233) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID65418233
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC NameN-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ncncc1I
InChIInChI=1S/C10H10IN3O/c1-14(6-8-3-2-4-15-8)10-9(11)5-12-7-13-10/h2-5,7H,6H2,1H3
InChIKeyFIIMLXSGBWHNOS-UHFFFAOYSA-N
XLogP2.31
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 52.31
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

5-iodo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
CID 66340189
N-[(3-bromophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66340843
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
4-N-(furan-2-ylmethyl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 112725379
[2-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61255618
[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol
CID 106767996
N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine
CID 3233053
N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 130677953
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143
4-N-(furan-2-ylmethyl)-4-N,2-dimethyl-1H-imidazole-4,5-diamine
CID 82237096
6-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80782363
4-N-(furan-2-ylmethyl)-4-N-methyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80774779

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine (CID 65418233) is N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine is CN(Cc1ccco1)c1ncncc1I.
What is the InChIKey of N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is FIIMLXSGBWHNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c1-14(6-8-3-2-4-15-8)10-9(11)5-12-7-13-10/h2-5,7H,6H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 315.11 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 65418233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).