2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

C14H24N4O — CID 80961851

IUPAC2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C14H24N4O/c1-3-4-7-18(8-9-19)13-10-12(15-2)16-14(17-13)11-5-6-11/h10-11,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyYJALTFFRESTXGI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.99
Rot. Bonds8

About 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80961851) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80961851
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C14H24N4O/c1-3-4-7-18(8-9-19)13-10-12(15-2)16-14(17-13)11-5-6-11/h10-11,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyYJALTFFRESTXGI-UHFFFAOYSA-N
XLogP1.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 80961851) is 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is CCCCN(CCO)c1cc(NC)nc(C2CC2)n1.
What is the InChIKey of 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is YJALTFFRESTXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-4-7-18(8-9-19)13-10-12(15-2)16-14(17-13)11-5-6-11/h10-11,19H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80961851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).