6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine

C12H21N3O2 — CID 82943748

IUPAC6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
SMILESCCCOCCCNc1ncnc(OC)c1C
InChIInChI=1S/C12H21N3O2/c1-4-7-17-8-5-6-13-11-10(2)12(16-3)15-9-14-11/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyIVHOZISRLXQTIZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.02
Rot. Bonds8

About 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine

6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine (PubChem CID 82943748) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
PubChem CID82943748
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
SMILESCCCOCCCNc1ncnc(OC)c1C
InChIInChI=1S/C12H21N3O2/c1-4-7-17-8-5-6-13-11-10(2)12(16-3)15-9-14-11/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyIVHOZISRLXQTIZ-UHFFFAOYSA-N
XLogP2.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
6-methoxy-5-methyl-N-(3-phenoxypropyl)pyrimidin-4-amine
CID 66324814
N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 66332349
N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 114184626
N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 114098263
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 82942129
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 114045642
N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 66325411

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine (CID 82943748) is 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine is CCCOCCCNc1ncnc(OC)c1C.
What is the InChIKey of 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine?
The InChIKey is IVHOZISRLXQTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-7-17-8-5-6-13-11-10(2)12(16-3)15-9-14-11/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine?
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 82943748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).