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

C16H27IN4 — CID 66299616

IUPAC6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(N2CCCCC2)nc(C(C)(C)C)c1I
InChIInChI=1S/C16H27IN4/c1-5-9-18-14-12(17)13(16(2,3)4)19-15(20-14)21-10-7-6-8-11-21/h5-11H2,1-4H3,(H,18,19,20)
InChIKeySBDAUQLWBPPXFF-UHFFFAOYSA-N
MW402.32 g/mol
LogP4.19
Rot. Bonds4

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

6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine (PubChem CID 66299616) has the molecular formula C16H27IN4 and a molecular weight of 402.32 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine
PubChem CID66299616
Molecular FormulaC16H27IN4
Molecular Weight402.32 g/mol
Exact Mass402.13
IUPAC Name6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(N2CCCCC2)nc(C(C)(C)C)c1I
InChIInChI=1S/C16H27IN4/c1-5-9-18-14-12(17)13(16(2,3)4)19-15(20-14)21-10-7-6-8-11-21/h5-11H2,1-4H3,(H,18,19,20)
InChIKeySBDAUQLWBPPXFF-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-N-ethyl-5-iodo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66301181
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
6-tert-butyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66307032
5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66298476
6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 66299019
2-(azepan-1-yl)-5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298547
N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 66298577
2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299085
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795315
6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66301967
6-tert-butyl-5-iodo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66300401
6-tert-butyl-2-(1,4-dithian-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79961478

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine (CID 66299616) is 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine is CCCNc1nc(N2CCCCC2)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine?
The InChIKey is SBDAUQLWBPPXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27IN4/c1-5-9-18-14-12(17)13(16(2,3)4)19-15(20-14)21-10-7-6-8-11-21/h5-11H2,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine?
6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine has a molecular weight of 402.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66299616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).