N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine

C16H20IN3O — CID 66298381

IUPACN-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(OC)c2)nc(C(C)C)c1I
InChIInChI=1S/C16H20IN3O/c1-5-18-16-13(17)14(10(2)3)19-15(20-16)11-7-6-8-12(9-11)21-4/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyJEYQSGDKRKPVPX-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.31
Rot. Bonds5

About N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine

N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66298381) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66298381
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC NameN-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(OC)c2)nc(C(C)C)c1I
InChIInChI=1S/C16H20IN3O/c1-5-18-16-13(17)14(10(2)3)19-15(20-16)11-7-6-8-12(9-11)21-4/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyJEYQSGDKRKPVPX-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.31
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

CP-31398
CID 9950868
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
N-benzyl-6-methoxyquinazolin-4-amine
CID 5328029
N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-5,6,7,8-tetrahydropteridin-4-amine
CID 24768331
5-(Aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236557
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3233294

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine (CID 66298381) is N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2cccc(OC)c2)nc(C(C)C)c1I.
What is the InChIKey of N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is JEYQSGDKRKPVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O/c1-5-18-16-13(17)14(10(2)3)19-15(20-16)11-7-6-8-12(9-11)21-4/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine?
N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 397.26 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66298381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).