2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol

C15H20N4O — CID 114759530

IUPAC2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESCNc1nc(NCC2(CCO)CC2)c2ccccc2n1
InChIInChI=1S/C15H20N4O/c1-16-14-18-12-5-3-2-4-11(12)13(19-14)17-10-15(6-7-15)8-9-20/h2-5,20H,6-10H2,1H3,(H2,16,17,18,19)
InChIKeyHMOZZASIFPFPIM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.25
Rot. Bonds6

About 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol

2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol (PubChem CID 114759530) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol
PubChem CID114759530
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESCNc1nc(NCC2(CCO)CC2)c2ccccc2n1
InChIInChI=1S/C15H20N4O/c1-16-14-18-12-5-3-2-4-11(12)13(19-14)17-10-15(6-7-15)8-9-20/h2-5,20H,6-10H2,1H3,(H2,16,17,18,19)
InChIKeyHMOZZASIFPFPIM-UHFFFAOYSA-N
XLogP2.25
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol (CID 114759530) is 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol is CNc1nc(NCC2(CCO)CC2)c2ccccc2n1.
What is the InChIKey of 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol?
The InChIKey is HMOZZASIFPFPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-14-18-12-5-3-2-4-11(12)13(19-14)17-10-15(6-7-15)8-9-20/h2-5,20H,6-10H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol?
2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114759530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).