5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine

C12H18IN3O — CID 113362270

IUPAC5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC2CCOC2)ncc1I
InChIInChI=1S/C12H18IN3O/c1-2-4-14-12-10(13)7-15-11(16-12)6-9-3-5-17-8-9/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyRICFQLFTMMNFMZ-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.48
Rot. Bonds5

About 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine

5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine (PubChem CID 113362270) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
PubChem CID113362270
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC2CCOC2)ncc1I
InChIInChI=1S/C12H18IN3O/c1-2-4-14-12-10(13)7-15-11(16-12)6-9-3-5-17-8-9/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyRICFQLFTMMNFMZ-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.48
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

2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103987757
2-(oxolan-3-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103987783
N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 103987843
5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80985429
2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
CID 66303133
N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 103987982
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80873297
5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 66304558
N-[1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 113362298
2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 79980922
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine (CID 113362270) is 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CC2CCOC2)ncc1I.
What is the InChIKey of 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine?
The InChIKey is RICFQLFTMMNFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-2-4-14-12-10(13)7-15-11(16-12)6-9-3-5-17-8-9/h7,9H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine?
5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine has a molecular weight of 347.20 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 113362270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).