6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine

C15H18IN3O — CID 66295420

IUPAC6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ccccc2COC)nc(NC)c1I
InChIInChI=1S/C15H18IN3O/c1-4-12-13(16)15(17-2)19-14(18-12)11-8-6-5-7-10(11)9-20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYYKRQVMUNLEAEK-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.50
Rot. Bonds5

About 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine

6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine (PubChem CID 66295420) has the molecular formula C15H18IN3O and a molecular weight of 383.23 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
PubChem CID66295420
Molecular FormulaC15H18IN3O
Molecular Weight383.23 g/mol
Exact Mass383.05
IUPAC Name6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ccccc2COC)nc(NC)c1I
InChIInChI=1S/C15H18IN3O/c1-4-12-13(16)15(17-2)19-14(18-12)11-8-6-5-7-10(11)9-20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYYKRQVMUNLEAEK-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-isopropyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 1476686
N-allyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 3723355
6-(methoxymethyl)-2-phenyl-N-propyl-4-pyrimidinamine
CID 4314667
6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127037313
N-(3,4-dihydro-1H-isochromen-1-yl)-6-methylpyridin-2-amine
CID 145965037
[2-[6-Amino-2-(benzylamino)pyrimidin-4-yl]phenyl]methanol
CID 155524066
N~4~-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine
CID 74233802
4-[3-(Benzyloxy)propyl]-6-methylpyrimidin-2-amine
CID 70759342
N~4~-[2-(benzyloxy)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 72858579
{2-[2-(Dimethylamino)-5,6-dimethylpyrimidin-4-YL]phenyl}methanol
CID 121501100
N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 52679211
2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 55062732

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine (CID 66295420) is 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine is CCc1nc(-c2ccccc2COC)nc(NC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine?
The InChIKey is YYKRQVMUNLEAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O/c1-4-12-13(16)15(17-2)19-14(18-12)11-8-6-5-7-10(11)9-20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine?
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine has a molecular weight of 383.23 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66295420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).