N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine

C11H19N3O — CID 59137292

IUPACN-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine
SMILESCOCCCNc1nccc(C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-9(2)10-5-7-13-11(14-10)12-6-4-8-15-3/h5,7,9H,4,6,8H2,1-3H3,(H,12,13,14)
InChIKeyJGGXIXVTHSFEAG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.05
Rot. Bonds6

About N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine

N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine (PubChem CID 59137292) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine
PubChem CID59137292
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine
SMILESCOCCCNc1nccc(C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-9(2)10-5-7-13-11(14-10)12-6-4-8-15-3/h5,7,9H,4,6,8H2,1-3H3,(H,12,13,14)
InChIKeyJGGXIXVTHSFEAG-UHFFFAOYSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine (CID 59137292) is N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine is COCCCNc1nccc(C(C)C)n1.
What is the InChIKey of N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine?
The InChIKey is JGGXIXVTHSFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)10-5-7-13-11(14-10)12-6-4-8-15-3/h5,7,9H,4,6,8H2,1-3H3,(H,12,13,14).
What are the key properties of N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine?
N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 59137292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).