N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine

C14H22IN3O — CID 103987843

IUPACN-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC2CCOC2)nc(NCC)c1I
InChIInChI=1S/C14H22IN3O/c1-3-5-11-13(15)14(16-4-2)18-12(17-11)8-10-6-7-19-9-10/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyPHDIGJXQFPPBJM-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.04
Rot. Bonds6

About N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine

N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine (PubChem CID 103987843) has the molecular formula C14H22IN3O and a molecular weight of 375.25 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
PubChem CID103987843
Molecular FormulaC14H22IN3O
Molecular Weight375.25 g/mol
Exact Mass375.08
IUPAC NameN-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC2CCOC2)nc(NCC)c1I
InChIInChI=1S/C14H22IN3O/c1-3-5-11-13(15)14(16-4-2)18-12(17-11)8-10-6-7-19-9-10/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyPHDIGJXQFPPBJM-UHFFFAOYSA-N
XLogP3.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine (CID 103987843) is N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine is CCCc1nc(CC2CCOC2)nc(NCC)c1I.
What is the InChIKey of N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine?
The InChIKey is PHDIGJXQFPPBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3O/c1-3-5-11-13(15)14(16-4-2)18-12(17-11)8-10-6-7-19-9-10/h10H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine?
N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine has a molecular weight of 375.25 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 103987843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).