6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine

C15H23N5O — CID 50830676

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCCCOC(C)C)ncn2)n1
InChIInChI=1S/C15H23N5O/c1-11(2)21-7-5-6-16-14-9-15(18-10-17-14)20-13(4)8-12(3)19-20/h8-11H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyOUTVRVRJULUAGT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.51
Rot. Bonds7

About 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine (PubChem CID 50830676) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
PubChem CID50830676
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCCCOC(C)C)ncn2)n1
InChIInChI=1S/C15H23N5O/c1-11(2)21-7-5-6-16-14-9-15(18-10-17-14)20-13(4)8-12(3)19-20/h8-11H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyOUTVRVRJULUAGT-UHFFFAOYSA-N
XLogP2.51
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine (CID 50830676) is 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine is Cc1cc(C)n(-c2cc(NCCCOC(C)C)ncn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The InChIKey is OUTVRVRJULUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)21-7-5-6-16-14-9-15(18-10-17-14)20-13(4)8-12(3)19-20/h8-11H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 50830676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).