5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine

C9H12IN3O — CID 104841332

IUPAC5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
SMILESIc1cnc(NCC2CCOC2)nc1
InChIInChI=1S/C9H12IN3O/c10-8-4-12-9(13-5-8)11-3-7-1-2-14-6-7/h4-5,7H,1-3,6H2,(H,11,12,13)
InChIKeyMVYRARRNGUCFOY-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.53
Rot. Bonds3

About 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine

5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine (PubChem CID 104841332) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
PubChem CID104841332
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
SMILESIc1cnc(NCC2CCOC2)nc1
InChIInChI=1S/C9H12IN3O/c10-8-4-12-9(13-5-8)11-3-7-1-2-14-6-7/h4-5,7H,1-3,6H2,(H,11,12,13)
InChIKeyMVYRARRNGUCFOY-UHFFFAOYSA-N
XLogP1.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.53
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

N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
CID 63726292
N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine
CID 116649643
N-(oxan-3-ylmethyl)quinazolin-2-amine
CID 114788931
5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
CID 62133287
2-N-(oxolan-3-ylmethyl)pyrazine-2,6-diamine
CID 78988857
N-(oxolan-3-ylmethyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689591
3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine
CID 104776871

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine (CID 104841332) is 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine is Ic1cnc(NCC2CCOC2)nc1.
What is the InChIKey of 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is MVYRARRNGUCFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c10-8-4-12-9(13-5-8)11-3-7-1-2-14-6-7/h4-5,7H,1-3,6H2,(H,11,12,13).
What are the key properties of 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 305.12 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 104841332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).