5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

C9H12IN3O — CID 82748952

IUPAC5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCN(c1ncncc1I)C1CCOC1
InChIInChI=1S/C9H12IN3O/c1-13(7-2-3-14-5-7)9-8(10)4-11-6-12-9/h4,6-7H,2-3,5H2,1H3
InChIKeyKJQBXXXROYCJFN-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.31
Rot. Bonds2

About 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 82748952) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID82748952
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCN(c1ncncc1I)C1CCOC1
InChIInChI=1S/C9H12IN3O/c1-13(7-2-3-14-5-7)9-8(10)4-11-6-12-9/h4,6-7H,2-3,5H2,1H3
InChIKeyKJQBXXXROYCJFN-UHFFFAOYSA-N
XLogP1.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82749328
4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 82744530
2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82748113
5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 114216043
6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine
CID 82746096
N-methyl-N-(oxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 82739319
4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide
CID 112755752
N,N-dicyclohexyl-5-iodopyrimidin-4-amine
CID 66342186
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine
CID 114216480
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
5-bromo-N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 82754864
N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine
CID 102871338

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (CID 82748952) is 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is CN(c1ncncc1I)C1CCOC1.
What is the InChIKey of 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is KJQBXXXROYCJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-13(7-2-3-14-5-7)9-8(10)4-11-6-12-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 305.12 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 82748952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).