6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine

C13H18IN3S2 — CID 115388664

IUPAC6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2SCCSC2C)nc(C2CC2)c1I
InChIInChI=1S/C13H18IN3S2/c1-7-11(19-6-5-18-7)13-16-10(8-3-4-8)9(14)12(15-2)17-13/h7-8,11H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyUIYRGFOHPPTCGW-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.91
Rot. Bonds3

About 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine

6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine (PubChem CID 115388664) has the molecular formula C13H18IN3S2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
PubChem CID115388664
Molecular FormulaC13H18IN3S2
Molecular Weight407.35 g/mol
Exact Mass407.00
IUPAC Name6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2SCCSC2C)nc(C2CC2)c1I
InChIInChI=1S/C13H18IN3S2/c1-7-11(19-6-5-18-7)13-16-10(8-3-4-8)9(14)12(15-2)17-13/h7-8,11H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyUIYRGFOHPPTCGW-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-5-iodo-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66303801
6-cyclopropyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 103346677
6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine
CID 107925746
6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 79666719
6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638585
N-ethyl-5-iodo-6-(methoxymethyl)-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388640
5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115388629
N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine
CID 115389228
6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66301958
6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79196796
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 113472434

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine (CID 115388664) is 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine is CNc1nc(C2SCCSC2C)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine?
The InChIKey is UIYRGFOHPPTCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3S2/c1-7-11(19-6-5-18-7)13-16-10(8-3-4-8)9(14)12(15-2)17-13/h7-8,11H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine has a molecular weight of 407.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 115388664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).