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

C14H16IN3 — CID 66304720

IUPACN-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C)c2)nc(C)c1I
InChIInChI=1S/C14H16IN3/c1-4-16-14-12(15)10(3)17-13(18-14)11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyIGMSDWRPKYFDRC-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.80
Rot. Bonds3

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

N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 66304720) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
PubChem CID66304720
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC NameN-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C)c2)nc(C)c1I
InChIInChI=1S/C14H16IN3/c1-4-16-14-12(15)10(3)17-13(18-14)11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyIGMSDWRPKYFDRC-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 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 ≤ 53.80
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

N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
N-ethyl-5-iodo-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66305523
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 66305532
N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615787
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252767
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299098
4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
CID 66316828
N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66298381
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine (CID 66304720) is N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine is CCNc1nc(-c2cccc(C)c2)nc(C)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is IGMSDWRPKYFDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-4-16-14-12(15)10(3)17-13(18-14)11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine?
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66304720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).