N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine

C13H16IN3S — CID 66306988

IUPACN-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccsc2)nc(NCC)c1I
InChIInChI=1S/C13H16IN3S/c1-3-5-10-11(14)13(15-4-2)17-12(16-10)9-6-7-18-8-9/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyFIAXXUXYFOXVDF-UHFFFAOYSA-N
MW373.26 g/mol
LogP4.19
Rot. Bonds5

About N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine

N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine (PubChem CID 66306988) has the molecular formula C13H16IN3S and a molecular weight of 373.26 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
PubChem CID66306988
Molecular FormulaC13H16IN3S
Molecular Weight373.26 g/mol
Exact Mass373.01
IUPAC NameN-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccsc2)nc(NCC)c1I
InChIInChI=1S/C13H16IN3S/c1-3-5-10-11(14)13(15-4-2)17-12(16-10)9-6-7-18-8-9/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyFIAXXUXYFOXVDF-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 54.19
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-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66304958
5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306562
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570534
2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66306784
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 55044818
N,6-diethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63616126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine (CID 66306988) is N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine is CCCc1nc(-c2ccsc2)nc(NCC)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is FIAXXUXYFOXVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3S/c1-3-5-10-11(14)13(15-4-2)17-12(16-10)9-6-7-18-8-9/h6-8H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine?
N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 373.26 g/mol, XLogP of 4.19, 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-6-propyl-2-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66306988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).