3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol

C14H24N4O2 — CID 91787116

IUPAC3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCC(C)OCCCNc1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)20-5-3-4-16-13-8-12(17-14(15)18-13)10-6-11(19)7-10/h8-11,19H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyRBEMMOXNAMTGMA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.52
Rot. Bonds7

About 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91787116) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91787116
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCC(C)OCCCNc1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)20-5-3-4-16-13-8-12(17-14(15)18-13)10-6-11(19)7-10/h8-11,19H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyRBEMMOXNAMTGMA-UHFFFAOYSA-N
XLogP1.52
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
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 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol (CID 91787116) is 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol is CC(C)OCCCNc1cc(C2CC(O)C2)nc(N)n1.
What is the InChIKey of 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is RBEMMOXNAMTGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)20-5-3-4-16-13-8-12(17-14(15)18-13)10-6-11(19)7-10/h8-11,19H,3-7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91787116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).