4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine

C11H19N3O — CID 82944082

IUPAC4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
SMILESCCCOCCCNc1nccc(C)n1
InChIInChI=1S/C11H19N3O/c1-3-8-15-9-4-6-12-11-13-7-5-10(2)14-11/h5,7H,3-4,6,8-9H2,1-2H3,(H,12,13,14)
InChIKeyPAWJCWFGFFVRNT-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.01
Rot. Bonds7

About 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine

4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine (PubChem CID 82944082) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
PubChem CID82944082
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
SMILESCCCOCCCNc1nccc(C)n1
InChIInChI=1S/C11H19N3O/c1-3-8-15-9-4-6-12-11-13-7-5-10(2)14-11/h5,7H,3-4,6,8-9H2,1-2H3,(H,12,13,14)
InChIKeyPAWJCWFGFFVRNT-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554293
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine
CID 133304713
N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 133309962
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106308368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine (CID 82944082) is 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine is CCCOCCCNc1nccc(C)n1.
What is the InChIKey of 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine?
The InChIKey is PAWJCWFGFFVRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-8-15-9-4-6-12-11-13-7-5-10(2)14-11/h5,7H,3-4,6,8-9H2,1-2H3,(H,12,13,14).
What are the key properties of 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine?
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 82944082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).