5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine

C12H20IN3S — CID 66305990

IUPAC5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSC(C)C)nc(NC)c1I
InChIInChI=1S/C12H20IN3S/c1-5-6-9-11(13)12(14-4)16-10(15-9)7-17-8(2)3/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyOPGKDSYXCSDQHR-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.72
Rot. Bonds6

About 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine

5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine (PubChem CID 66305990) has the molecular formula C12H20IN3S and a molecular weight of 365.28 g/mol. Its IUPAC name is 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine
PubChem CID66305990
Molecular FormulaC12H20IN3S
Molecular Weight365.28 g/mol
Exact Mass365.04
IUPAC Name5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSC(C)C)nc(NC)c1I
InChIInChI=1S/C12H20IN3S/c1-5-6-9-11(13)12(14-4)16-10(15-9)7-17-8(2)3/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyOPGKDSYXCSDQHR-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butan-2-ylsulfanylmethyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66306382
5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66306381
5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65131341
5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine
CID 66291926
2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306899
5-iodo-N-methyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476269
2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305388
5-iodo-6-(methoxymethyl)-N-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301999
N-ethyl-5-iodo-6-phenyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66305650
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 65131807
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297690

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine (CID 66305990) is 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine is CCCc1nc(CSC(C)C)nc(NC)c1I.
What is the InChIKey of 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine?
The InChIKey is OPGKDSYXCSDQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3S/c1-5-6-9-11(13)12(14-4)16-10(15-9)7-17-8(2)3/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine?
5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine has a molecular weight of 365.28 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).