5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine

C12H20IN3O — CID 66306381

IUPAC5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CCCOC)nc(NC)c1I
InChIInChI=1S/C12H20IN3O/c1-4-6-9-11(13)12(14-2)16-10(15-9)7-5-8-17-3/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyCNPSLAWCXQHWAP-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.65
Rot. Bonds7

About 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine

5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66306381) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66306381
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC Name5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CCCOC)nc(NC)c1I
InChIInChI=1S/C12H20IN3O/c1-4-6-9-11(13)12(14-2)16-10(15-9)7-5-8-17-3/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyCNPSLAWCXQHWAP-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 52.65
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

5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 66301389
6-ethyl-5-iodo-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66300059
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305990
5-iodo-N-methyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476269
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
2-(butan-2-ylsulfanylmethyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66306382
2-[(3,4-dimethylphenyl)methyl]-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305388
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606
5-iodo-6-(methoxymethyl)-N-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301999

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine (CID 66306381) is 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(CCCOC)nc(NC)c1I.
What is the InChIKey of 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is CNPSLAWCXQHWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3O/c1-4-6-9-11(13)12(14-2)16-10(15-9)7-5-8-17-3/h4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine?
5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 349.22 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66306381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).