5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine

C14H24IN3O — CID 66304606

IUPAC5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(COCCC)nc(CCC)c1I
InChIInChI=1S/C14H24IN3O/c1-4-7-11-13(15)14(16-8-5-2)18-12(17-11)10-19-9-6-3/h4-10H2,1-3H3,(H,16,17,18)
InChIKeyDSDJJIUJQRWHER-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.78
Rot. Bonds9

About 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine

5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 66304606) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
PubChem CID66304606
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(COCCC)nc(CCC)c1I
InChIInChI=1S/C14H24IN3O/c1-4-7-11-13(15)14(16-8-5-2)18-12(17-11)10-19-9-6-3/h4-10H2,1-3H3,(H,16,17,18)
InChIKeyDSDJJIUJQRWHER-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995
6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
CID 66304213
5-iodo-N-methyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476269
2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300153
N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine
CID 66306782
2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 115347061
5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
CID 66304186
N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 79218565
3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594300
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine (CID 66304606) is 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(COCCC)nc(CCC)c1I.
What is the InChIKey of 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is DSDJJIUJQRWHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24IN3O/c1-4-7-11-13(15)14(16-8-5-2)18-12(17-11)10-19-9-6-3/h4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine?
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 377.27 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 66304606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).