N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine

C14H23IN4 — CID 66307589

IUPACN-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(N2CCCCC2)nc(NCC)c1I
InChIInChI=1S/C14H23IN4/c1-3-8-11-12(15)13(16-4-2)18-14(17-11)19-9-6-5-7-10-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyDWPIVMDOOYHMAI-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.46
Rot. Bonds5

About N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine

N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine (PubChem CID 66307589) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
PubChem CID66307589
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC NameN-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(N2CCCCC2)nc(NCC)c1I
InChIInChI=1S/C14H23IN4/c1-3-8-11-12(15)13(16-4-2)18-14(17-11)19-9-6-5-7-10-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyDWPIVMDOOYHMAI-UHFFFAOYSA-N
XLogP3.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.46
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-piperidin-1-yl-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine (CID 66307589) is N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine is CCCc1nc(N2CCCCC2)nc(NCC)c1I.
What is the InChIKey of N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine?
The InChIKey is DWPIVMDOOYHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN4/c1-3-8-11-12(15)13(16-4-2)18-14(17-11)19-9-6-5-7-10-19/h3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine?
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine has a molecular weight of 374.27 g/mol, XLogP of 3.46, 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-2-piperidin-1-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).