6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine

C14H16IN3 — CID 66299080

IUPAC6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cc2cccc(C)c2)nc(N)c1I
InChIInChI=1S/C14H16IN3/c1-3-11-13(15)14(16)18-12(17-11)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,16,17,18)
InChIKeyCRALEMKOFZZEQD-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.13
Rot. Bonds3

About 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine

6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 66299080) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID66299080
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC Name6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cc2cccc(C)c2)nc(N)c1I
InChIInChI=1S/C14H16IN3/c1-3-11-13(15)14(16)18-12(17-11)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,16,17,18)
InChIKeyCRALEMKOFZZEQD-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307569
2-[(3,5-dimethylphenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303635
6-ethyl-5-iodo-2-propylpyrimidin-4-amine
CID 66298675
6-ethyl-5-iodo-2-(4-methylphenyl)pyrimidin-4-amine
CID 66298872
2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301314
2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300915
2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66306766
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidine
CID 66292286
N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090680

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine (CID 66299080) is 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine is CCc1nc(Cc2cccc(C)c2)nc(N)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is CRALEMKOFZZEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-3-11-13(15)14(16)18-12(17-11)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66299080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).