5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine

C13H22IN3 — CID 66307320

IUPAC5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCC(C)C)nc(C)c1I
InChIInChI=1S/C13H22IN3/c1-5-8-15-13-12(14)10(4)16-11(17-13)7-6-9(2)3/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyIQGSTEVOCMOBOG-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.80
Rot. Bonds6

About 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine

5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine (PubChem CID 66307320) has the molecular formula C13H22IN3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
PubChem CID66307320
Molecular FormulaC13H22IN3
Molecular Weight347.24 g/mol
Exact Mass347.09
IUPAC Name5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCC(C)C)nc(C)c1I
InChIInChI=1S/C13H22IN3/c1-5-8-15-13-12(14)10(4)16-11(17-13)7-6-9(2)3/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyIQGSTEVOCMOBOG-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.80
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

6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63486822
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine
CID 66306718
5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66306098
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66305130
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026
2-[2-(dimethylamino)ethyl]-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115347066
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
[5,6-dimethyl-2-(3-methylbutyl)pyrimidin-4-yl]hydrazine
CID 62250159
4-N,5-dimethyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80987790

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine (CID 66307320) is 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CCC(C)C)nc(C)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine?
The InChIKey is IQGSTEVOCMOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3/c1-5-8-15-13-12(14)10(4)16-11(17-13)7-6-9(2)3/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine?
5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine has a molecular weight of 347.24 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66307320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).