N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine

C14H24IN3O — CID 116729449

IUPACN-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(OC)C(C)C)nc(NCC)c1I
InChIInChI=1S/C14H24IN3O/c1-6-8-10-11(15)13(16-7-2)18-14(17-10)12(19-5)9(3)4/h9,12H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyRTQRWHAAJMZYSA-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.81
Rot. Bonds7

About N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine

N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine (PubChem CID 116729449) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
PubChem CID116729449
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC NameN-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(OC)C(C)C)nc(NCC)c1I
InChIInChI=1S/C14H24IN3O/c1-6-8-10-11(15)13(16-7-2)18-14(17-10)12(19-5)9(3)4/h9,12H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyRTQRWHAAJMZYSA-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.81
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-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116729448
N-ethyl-5-iodo-2-(1-methylsulfonylethyl)-6-propylpyrimidin-4-amine
CID 116633231
N-ethyl-2-(1-methoxy-2-methylpropyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116729084
N,6-diethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66298311
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730006
5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine
CID 79616383
5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine
CID 116729353
2-(1-methoxy-2-methylpropyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739405

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine (CID 116729449) is N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine is CCCc1nc(C(OC)C(C)C)nc(NCC)c1I.
What is the InChIKey of N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine?
The InChIKey is RTQRWHAAJMZYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24IN3O/c1-6-8-10-11(15)13(16-7-2)18-14(17-10)12(19-5)9(3)4/h9,12H,6-8H2,1-5H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine?
N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine has a molecular weight of 377.27 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116729449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).