N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine

C13H15IN4 — CID 66299682

IUPACN,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccnc2)nc(CC)c1I
InChIInChI=1S/C13H15IN4/c1-3-10-11(14)13(16-4-2)18-12(17-10)9-6-5-7-15-8-9/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyWQIUVESOIAWQMI-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.14
Rot. Bonds4

About N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine

N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 66299682) has the molecular formula C13H15IN4 and a molecular weight of 354.20 g/mol. Its IUPAC name is N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID66299682
Molecular FormulaC13H15IN4
Molecular Weight354.20 g/mol
Exact Mass354.03
IUPAC NameN,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccnc2)nc(CC)c1I
InChIInChI=1S/C13H15IN4/c1-3-10-11(14)13(16-4-2)18-12(17-10)9-6-5-7-15-8-9/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyWQIUVESOIAWQMI-UHFFFAOYSA-N
XLogP3.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.14
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,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299098
N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66299480
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296199
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66306784
6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66304220
6-ethyl-5-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 63560551
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297351
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 82733244
2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66297158

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine (CID 66299682) is N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine is CCNc1nc(-c2cccnc2)nc(CC)c1I.
What is the InChIKey of N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is WQIUVESOIAWQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4/c1-3-10-11(14)13(16-4-2)18-12(17-10)9-6-5-7-15-8-9/h5-8H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine?
N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 354.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66299682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).