2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine

C16H20IN3 — CID 66306395

IUPAC2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2)nc(NCC)c1I
InChIInChI=1S/C16H20IN3/c1-3-8-13-15(17)16(18-4-2)20-14(19-13)11-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,18,19,20)
InChIKeyCUYDKHUXNPOMOL-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.06
Rot. Bonds6

About 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine

2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66306395) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66306395
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC Name2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2)nc(NCC)c1I
InChIInChI=1S/C16H20IN3/c1-3-8-13-15(17)16(18-4-2)20-14(19-13)11-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,18,19,20)
InChIKeyCUYDKHUXNPOMOL-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (CID 66306395) is 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(Cc2ccccc2)nc(NCC)c1I.
What is the InChIKey of 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is CUYDKHUXNPOMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3/c1-3-8-13-15(17)16(18-4-2)20-14(19-13)11-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 381.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66306395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).