2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

C14H22IN3S — CID 66299542

IUPAC2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(CSC2CCCCC2)nc(N)c1I
InChIInChI=1S/C14H22IN3S/c1-9(2)13-12(15)14(16)18-11(17-13)8-19-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyXUCGQXZFNMEGRY-UHFFFAOYSA-N
MW391.32 g/mol
LogP4.35
Rot. Bonds4

About 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66299542) has the molecular formula C14H22IN3S and a molecular weight of 391.32 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66299542
Molecular FormulaC14H22IN3S
Molecular Weight391.32 g/mol
Exact Mass391.06
IUPAC Name2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(CSC2CCCCC2)nc(N)c1I
InChIInChI=1S/C14H22IN3S/c1-9(2)13-12(15)14(16)18-11(17-13)8-19-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyXUCGQXZFNMEGRY-UHFFFAOYSA-N
XLogP4.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.35
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

6-tert-butyl-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidin-4-amine
CID 66305037
4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodo-6-methylpyrimidine
CID 66292323
4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine
CID 65139776
2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60707023
[2-(cyclohexylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434438
2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 65144459
4-(cyclohexylsulfanylmethyl)-6-cyclopentyl-1,3,5-triazin-2-amine
CID 65144232
4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65140552
4-cyclohexyl-6-(cyclohexylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65144233
4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 65140403
N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65144269
2-(cyclohexylsulfanylmethyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302987

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 66299542) is 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(CSC2CCCCC2)nc(N)c1I.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is XUCGQXZFNMEGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3S/c1-9(2)13-12(15)14(16)18-11(17-13)8-19-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 391.32 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66299542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).