N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine

C14H16IN3 — CID 66300272

IUPACN,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2)nc(CC)c1I
InChIInChI=1S/C14H16IN3/c1-3-11-12(15)14(16-4-2)18-13(17-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyNQLMBOJVCNDJPI-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.74
Rot. Bonds4

About N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine

N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine (PubChem CID 66300272) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
PubChem CID66300272
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC NameN,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2)nc(CC)c1I
InChIInChI=1S/C14H16IN3/c1-3-11-12(15)14(16-4-2)18-13(17-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyNQLMBOJVCNDJPI-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.74
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,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
CID 66299682
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296199
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219
2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299098
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,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66297158
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 66298313
N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66306784

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine (CID 66300272) is N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine is CCNc1nc(-c2ccccc2)nc(CC)c1I.
What is the InChIKey of N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine?
The InChIKey is NQLMBOJVCNDJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-3-11-12(15)14(16-4-2)18-13(17-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine?
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 66300272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).