6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine

C14H20IN3S — CID 80638585

IUPAC6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCS2)nc(C2CC2)c1I
InChIInChI=1S/C14H20IN3S/c1-2-7-16-14-11(15)12(9-5-6-9)17-13(18-14)10-4-3-8-19-10/h9-10H,2-8H2,1H3,(H,16,17,18)
InChIKeyFEKNIAGSPXQDSI-UHFFFAOYSA-N
MW389.31 g/mol
LogP4.35
Rot. Bonds5

About 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine

6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine (PubChem CID 80638585) has the molecular formula C14H20IN3S and a molecular weight of 389.31 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine
PubChem CID80638585
Molecular FormulaC14H20IN3S
Molecular Weight389.31 g/mol
Exact Mass389.04
IUPAC Name6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCS2)nc(C2CC2)c1I
InChIInChI=1S/C14H20IN3S/c1-2-7-16-14-11(15)12(9-5-6-9)17-13(18-14)10-4-3-8-19-10/h9-10H,2-8H2,1H3,(H,16,17,18)
InChIKeyFEKNIAGSPXQDSI-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
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-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638386
4-chloro-6-cyclopentyl-5-iodo-2-(thiolan-2-yl)pyrimidine
CID 113390294
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991863
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine
CID 115347083
6-tert-butyl-2-(1,4-dithian-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79961478
6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777235
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 103346655
6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503075
6-cyclopropyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 103346677
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66303801
6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388664

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine (CID 80638585) is 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine is CCCNc1nc(C2CCCS2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine?
The InChIKey is FEKNIAGSPXQDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3S/c1-2-7-16-14-11(15)12(9-5-6-9)17-13(18-14)10-4-3-8-19-10/h9-10H,2-8H2,1H3,(H,16,17,18).
What are the key properties of 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine has a molecular weight of 389.31 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80638585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).