N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

C15H20IN3S — CID 66297952

IUPACN-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(CC)s2)nc(C(C)C)c1I
InChIInChI=1S/C15H20IN3S/c1-5-10-7-8-11(20-10)14-18-13(9(3)4)12(16)15(19-14)17-6-2/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyQZXUCPPSZXWHDV-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.93
Rot. Bonds5

About N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66297952) has the molecular formula C15H20IN3S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66297952
Molecular FormulaC15H20IN3S
Molecular Weight401.32 g/mol
Exact Mass401.04
IUPAC NameN-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(CC)s2)nc(C(C)C)c1I
InChIInChI=1S/C15H20IN3S/c1-5-10-7-8-11(20-10)14-18-13(9(3)4)12(16)15(19-14)17-6-2/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyQZXUCPPSZXWHDV-UHFFFAOYSA-N
XLogP4.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.93
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

5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414
5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297560
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 102844027
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107504360
N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine
CID 63500664
N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66300343
N-ethyl-5-iodo-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66297954
2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile
CID 55045564
N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66298381
N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine
CID 62321079
6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 63480834
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine
CID 66313212

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 66297952) is N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2ccc(CC)s2)nc(C(C)C)c1I.
What is the InChIKey of N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is QZXUCPPSZXWHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3S/c1-5-10-7-8-11(20-10)14-18-13(9(3)4)12(16)15(19-14)17-6-2/h7-9H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 401.32 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66297952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).